SCHEMBL5379818

SCHEMBL5379818

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.48
HTT P42858 3/20 0.48
NPSR1 Q6W5P4 3/20 0.48
LMNA P02545 3/20 0.48
HPGD P15428 3/20 0.48
TDP1 Q9NUW8 3/20 0.48
PKM P14618 2/20 0.48
ATM Q13315 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
NLRP1 Q9C000 1/20 0.48
NTSR1 P30989 1/20 0.48
CES2 O00748 3/20 0.48
CES1 P23141 3/20 0.48
GAA P10253 1/20 0.43
CYP2A6 P11509 1/20 0.42
MAPT P10636 2/20 0.42
THRB P10828 1/20 0.42
SRD5A2 P31213 1/20 0.41

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
SCHEMBL3628327 0.78 MAPT (0.52) ALDH1A1HTTLMNAHPGDPKM
SCHEMBL1073763 0.78 ALDH1A1 (0.44) ALDH1A1HTTNPSR1LMNAHPGD
SCHEMBL3622034 0.77 MAPT (0.57) ALDH1A1HPGDPKMCES2CES1
SCHEMBL7094841 0.76 CES2 (0.48) ALDH1A1LMNAHPGDATMCES2
SCHEMBL18519275 0.76 ALDH1A1 (0.43) ALDH1A1HTTNPSR1LMNAHPGD
SCHEMBL27750184 0.76 CES2 (0.48) MEN1KMT2ACES2CES1MAPT
SCHEMBL5373801 0.76 TYR (0.48) ALDH1A1HTTLMNAHPGDSMN1; SMN2
SCHEMBL19149558 0.76 ALDH1A1 (0.45) ALDH1A1NPSR1LMNATDP1ATM
SCHEMBL58595 0.75 ALDH1A1 (0.54) ALDH1A1NPSR1LMNAHPGDTDP1
Butadiene SCHEMBL27194809 0.74 ALDH1A1 (0.41) ALDH1A1HTTNPSR1LMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6121499-A Process for producing polyhydroxy ethers and unsymmetrical polyhydroxy ethers obtainable with the process DEGUSSA AKTIENGESELLSCHAFT (DE) 2000-09-19 US claimed
WO-2023038481-A1 HETEROARYL DERIVATIVE COMPOUND AS STAT3 INHIBITOR, AND USE THEREOF 주식회사 프롬바이오 2023-03-16 WO disclosed
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
EP-2543437-A2 HOMOGENEOUS ASYMMETRIC HYDROGENATION CATALYST Takasago International Corporation (JP) 2013-01-09 EP 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
US-6121499-A Process for producing polyhydroxy ethers and unsymmetrical polyhydroxy ethers obtainable with the process DEGUSSA AKTIENGESELLSCHAFT (DE) 2000-09-19 US disclosed
EP-0863122-B1 Process for the preparation of polyhydroxyethers DEGUSSA (DE) 2000-06-28 EP 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
EP-0863122-A1 Process for the preparation of polyhydroxyethers and unsymmetrical polyhydroxyethers obtained by this process DEGUSSA AG (DE) 1998-09-09 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
US-4007089-A Method for binding biologically active compounds NELSON RESEARCH & DEVELOPMENT COMPANY (US) 1977-02-08 US 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 (2 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 ALDH1A1 613/4885HTT 4661/4885NPSR1 1856/4885
US-20130217895-A1 CATALYST FOR ASYMMETRIC HYDROGENATION AND METHOD FOR MANUFACTURING OPTICALLY ACTIVE CARBONYL COMPOUND USING THE SAME HMOX1, NQO1, CBR3 ALDH1A1 61/4885HTT 3791/4885NPSR1 2156/4885

“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.