SCHEMBL5373801

SCHEMBL5373801

C=C(C=O)c1ccc(C(C)C)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 3/20 0.48
HTT P42858 1/20 0.45
CYP2C9 P11712 3/20 0.44
USP5 P45974 1/20 0.43
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 3/20 0.38
NPC1 O15118 2/20 0.38
MITF O75030 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
ESRRG P62508 1/20 0.37
CYP2D6 P10635 1/20 0.37
HIF1A Q16665 1/20 0.37
POLB P06746 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1483380 0.77 ALDH1A1 (0.52) TYRHTTCYP2C9USP5ALDH1A1
SCHEMBL7094841 0.76 CES2 (0.48) ALDH1A1LMNAKDM4EMAPK1MAPT
SCHEMBL5379818 0.76 ALDH1A1 (0.48) HTTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL27539251 0.76 HTT (0.50) TYRHTTCYP2C9USP5ALDH1A1
SCHEMBL13020154 0.75 PTGS1 (0.44) CYP2C9ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL717192 0.73 HTT (0.52) TYRHTTCYP2C9USP5ALDH1A1
SCHEMBL3628327 0.73 MAPT (0.52) TYRHTTCYP2C9ALDH1A1MEN1
SCHEMBL8242358 0.73 HTT (0.52) TYRHTTCYP2C9USP5ALDH1A1
SCHEMBL3622034 0.72 MAPT (0.57) ALDH1A1KDM4EMAPTHPGD
SCHEMBL9456249 0.72 CYP2C9 (0.46) TYRHTTCYP2C9USP5ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2438989-B1 USE OF ASYMMETRIC HYDROGENATION CATALYST TAKASAGO PERFUMERY CO LTD (JP) 2016-04-13 EP disclosed
US-9000192-B2 Catalyst for asymmetric hydrogenation and method for manufacturing optically active carbonyl compound using the same TAKASAGO INTERNATIONAL CORPORATION (JP) 2015-04-07 US disclosed
US-9000192-B2 Catalyst for asymmetric hydrogenation and method for manufacturing optically active carbonyl compound using the same TAKASAGO INTERNATIONAL CORPORATION (JP) 2015-04-07 US disclosed
US-8674144-B2 Catalyst for asymmetric hydrogenation and method for manufacturing optically active carbonyl compound using the same TAKASAGO INTERNATIONAL CORPORATION (JP) 2014-03-18 US disclosed
US-8674144-B2 Catalyst for asymmetric hydrogenation and method for manufacturing optically active carbonyl compound using the same TAKASAGO INTERNATIONAL CORPORATION (JP) 2014-03-18 US disclosed
US-20130217895-A1 CATALYST FOR ASYMMETRIC HYDROGENATION AND METHOD FOR MANUFACTURING OPTICALLY ACTIVE CARBONYL COMPOUND USING THE SAME TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-08-22 US disclosed
US-20130217895-A1 CATALYST FOR ASYMMETRIC HYDROGENATION AND METHOD FOR MANUFACTURING OPTICALLY ACTIVE CARBONYL COMPOUND USING THE SAME TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-08-22 US disclosed
US-8217204-B2 Catalyst for asymmetric hydrogenation TAKASAGO INTERNATIONAL CORPORATION (JP) 2012-07-10 US disclosed
US-8217204-B2 Catalyst for asymmetric hydrogenation TAKASAGO INTERNATIONAL CORPORATION (JP) 2012-07-10 US disclosed
WO-2012074128-A1 CATALYST FOR ASYMMETRIC HYDROGENATION AND METHOD FOR MANUFACTURING OPTICALLY ACTIVE CARBONYL COMPOUND USING THE SAME TAKASAGO INTERNATIONAL CORPORATION (JP) 2012-06-07 WO disclosed
US-7211680-B2 Vitamin D derivatives with carbo-or heterocyclic substituents at C-25, a process for their production, intermediate products and their use for producing medicaments SCHERING AKTIENGESELLSCHAFT (DE) 2007-05-01 US disclosed
US-20050080058-A1 New vitamin D derivatives with carbo-or heterocyclic substituents at C-25, a process for their production, intermediate products and their use for producing medicaments SCHERING AKTIENGESELLSCHAFT PATENTS (DE) 2005-04-14 US disclosed
US-6642218-B2 (5Z,7E,22E)-(1S,3R,24R)-25-(5-Propyloxazol-2-yl)-26,27-cyclo -9,10-secocholesta-5,7,10(19), 22-tetraene-1,3,24-triol for treatment of diseases characterized by hyperproliferation and deficient cell differentiation SCHERING AKTIENGESELLSCHAFT (DE) 2003-11-04 US disclosed
US-6613920-B1 25-(5-propylimidazol-2-yl)-26,27-cyclo-9, 10-secocholesta-5,7,10(19),22-tetraene-1,3,24-triol; antagonizes the action of calcitriol in HL 60 cells; hyperprolifierative diseases of the skin, tumor diseases and precancerous stages SCHERING AKTIENGESELLSCHAFT (DE) 2003-09-02 US disclosed
US-6600058-B1 The invention concerns new vitamin D derivatives of general formula (I) a process for their production, their use for production of medicaments, and intermediate products used in the process. treating a patient for hyperprolifierative SCHERING AKTIENGELLSCHAFT (DE) 2003-07-29 US disclosed
EP-0900198-B1 NEW VITAMIN D DERIVATIVES WITH CARBO- OR HETEROCYCLIC SUBSTITUENTS AT C-25, A PROCESS FOR THEIR PRODUCTION, INTERMEDIATE PRODUCTS AND THEIR USE FOR PRODUCING MEDICAMENTS SCHERING AG (DE) 2003-03-12 EP disclosed
US-20020049344-A1 NEW VITAMIN D DERIVATIVES WITH CARBO-OR HETEROCYCLIC SUBSTITUENTS AT C-25, A PROCESS FOR THEIR PRODUCTION, INTERMEDIATE PRODUCTS AND THEIR USE FOR PRODUCING MEDICAMENTS SCHERING AKTIENGESELLSCHAFT (DE) 2002-04-25 US disclosed
CN-1216978-A Vitamin D-derivatives having a carbocyclic or heterocyclic substituent at C-25, method for the production thereof, intermediate products and use thereof for producing medicaments SCHERING AG (DE) 1999-05-19 CN disclosed
EP-0900198-A1 NEW VITAMIN D DERIVATIVES WITH CARBO- OR HETEROCYCLIC SUBSTITUENTS AT C-25, A PROCESS FOR THEIR PRODUCTION, INTERMEDIATE PRODUCTS AND THEIR USE FOR PRODUCING MEDICAMENTS Schering Aktiengesellschaft (DE) 1999-03-10 EP disclosed
WO-1997041096-A1 NEW VITAMIN D DERIVATIVES WITH CARBO- OR HETEROCYCLIC SUBSTITUENTS AT C-25, A PROCESS FOR THEIR PRODUCTION, INTERMEDIATE PRODUCTS AND THEIR USE FOR PRODUCING MEDICAMENTS SCHERING AKTIENGESELLSCHAFT (DE) 1997-11-06 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20020049344-A1 NEW VITAMIN D DERIVATIVES WITH CARBO-OR HETEROCYCLIC SUBSTITUENTS AT C-25, A PROCESS FOR THEIR PRODUCTION, INTERMEDIATE PRODUCTS AND THEIR USE FOR PRODUCING MEDICAMENTS CYP2R1, VDR, CYP24A1 TYR 1017/4885HTT 4661/4885CYP2C9 141/4885
US-20130217895-A1 CATALYST FOR ASYMMETRIC HYDROGENATION AND METHOD FOR MANUFACTURING OPTICALLY ACTIVE CARBONYL COMPOUND USING THE SAME HMOX1, NQO1, CBR3 TYR 1740/4885HTT 3791/4885CYP2C9 907/4885
US-20050080058-A1 New vitamin D derivatives with carbo-or heterocyclic substituents at C-25, a process for their production, intermediate products and their use for producing medicaments VDR, CYP24A1, CYP2R1 TYR 850/4885HTT 1684/4885CYP2C9 1720/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.