SCHEMBL5394263

SCHEMBL5394263

CCCCc1ccc(CC=O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
HSD17B10 Q99714 2/20 0.53
HPGD P15428 1/20 0.53
CA2 P00918 3/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
THRA P10827 2/20 0.52
THRB P10828 2/20 0.52
CA1 P00915 1/20 0.50
RARB P10826 1/20 0.48
PLK1 P53350 1/20 0.48
ESR1 P03372 2/20 0.47
ADRA2A P08913 2/20 0.47
ADORA3 P0DMS8 2/20 0.47
TACR2 P21452 2/20 0.47
SLC6A2 P23975 2/20 0.47
SLC6A4 P31645 2/20 0.47
SLC6A3 Q01959 2/20 0.47
CYP3A4 P08684 2/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47

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
SCHEMBL26660483 0.91 ESR1 (0.59) ALDH1A1HSD17B10CA2THRATHRB
SCHEMBL11141986 0.91 ESR1 (0.59) ALDH1A1HSD17B10CA2THRATHRB
SCHEMBL28400146 0.91 ESR1 (0.59) ALDH1A1HSD17B10CA2THRATHRB
SCHEMBL2554463 0.86 THRB (0.48) ALDH1A1CA2THRBPLK1KDM4E
SCHEMBL8161742 0.84 ALDH1A1 (0.52) ALDH1A1HSD17B10HPGDCA2SMN1; SMN2
SCHEMBL5074036 0.84 TSHR (0.54) ALDH1A1HSD17B10HPGDCA2SMN1; SMN2
Formic Acid SCHEMBL28060935 0.84 ALDH1A1 (0.61) ALDH1A1HSD17B10HPGDCA2SMN1; SMN2
SCHEMBL83869 0.83 CA2 (0.65) ALDH1A1HSD17B10HPGDCA2SMN1; SMN2
SCHEMBL1610164 0.80 CA2 (0.48) ALDH1A1HSD17B10HPGDCA2SMN1; SMN2
SCHEMBL219423 0.80 ALDH1A1 (0.52) ALDH1A1HSD17B10HPGDCA2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3649184-A1 SILICONE COMPOUNDS The Procter and Gamble Company (US) 2020-05-13 EP claimed
EP-3649183-A1 SILICONE COMPOUNDS The Procter and Gamble Company (US) 2020-05-13 EP claimed
WO-2019010263-A1 SILICONE COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 2019-01-10 WO claimed
WO-2019010265-A1 SILICONE COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 2019-01-10 WO claimed
EP-3649184-A1 SILICONE COMPOUNDS The Procter and Gamble Company (US) 2020-05-13 EP disclosed
EP-3649183-A1 SILICONE COMPOUNDS The Procter and Gamble Company (US) 2020-05-13 EP disclosed
WO-2019010265-A1 SILICONE COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 2019-01-10 WO disclosed
WO-2019010263-A1 SILICONE COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 2019-01-10 WO disclosed
US-7696238-B2 Substituted benzo[d]isoxazol-3-yl amine compounds as analgesics GRUENENTHAL GMBH (DE) 2010-04-13 US disclosed
US-7696238-B2 Substituted benzo[d]isoxazol-3-yl amine compounds as analgesics GRUENENTHAL GMBH (DE) 2010-04-13 US disclosed
US-20080176915-A1 Substituted Benzo[d]isoxazol-3-yl Amine Compounds as Analgesics GRUENENTHAL GMBH (DE) 2008-07-24 US disclosed
US-20080176915-A1 Substituted Benzo[d]isoxazol-3-yl Amine Compounds as Analgesics GRUENENTHAL GMBH (DE) 2008-07-24 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
CN-1173944-C 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 ���ֹɷݹ�˾ 2004-11-03 CN 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
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 ALDH1A1 613/4885HSD17B10 252/4885HPGD 43/4885
US-20080176915-A1 Substituted Benzo[d]isoxazol-3-yl Amine Compounds as Analgesics KCNQ1, KCNQ2, KCNQ3 ALDH1A1 1965/4885HSD17B10 3447/4885HPGD 2090/4885
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 ALDH1A1 3086/4885HSD17B10 988/4885HPGD 224/4885

“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.