SCHEMBL7751691

SCHEMBL7751691

C=CCc1cc(C(C)(C)C)cc(C)c1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 4/20 0.47
CYP1A2 P05177 3/20 0.47
CYP2C9 P11712 3/20 0.47
CYP2D6 P10635 2/20 0.47
ALOX5 P09917 1/20 0.46
PTGS1 P23219 1/20 0.46
PTGS2 P35354 1/20 0.46
HTR1D P28221 2/20 0.40
HTR1B P28222 1/20 0.40
GAA P10253 2/20 0.39
HIF1A Q16665 1/20 0.39
GABRA1 P14867 3/20 0.38
GABRB2 P47870 3/20 0.38
KDM4E B2RXH2 2/20 0.38
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
POLB P06746 1/20 0.35
GLA P06280 1/20 0.35

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
SCHEMBL13259833 0.91 CYP2C19 (0.53) CYP2C19CYP1A2CYP2C9CYP2D6ALOX5
SCHEMBL2001926 0.89 ALOX5 (0.46) CYP2C19CYP1A2CYP2C9CYP2D6ALOX5
SCHEMBL5464370 0.84 ALDH1A1 (0.45) CYP2C19CYP1A2CYP2C9CYP2D6GAA
SCHEMBL14702161 0.83 CYP2C19 (0.46) CYP2C19CYP1A2CYP2C9CYP2D6ALOX5
SCHEMBL12118510 0.80 MEN1 (0.47) CYP2C19ALOX5PTGS1GAAGABRA1
SCHEMBL331989 0.79 GAA (0.53) ALOX5PTGS1PTGS2GAAGABRA1
SCHEMBL240977 0.79 ALOX15 (0.53) CYP2C19ALOX5PTGS1PTGS2GAA
SCHEMBL14283804 0.79 ALOX5 (0.49) ALOX5PTGS1PTGS2GAAGABRA1
SCHEMBL70807 0.79 CYP2C19 (0.53) CYP2C19CYP1A2CYP2C9CYP2D6HTR1D
SCHEMBL22588951 0.79 ALOX5 (0.41) CYP2C19CYP1A2CYP2C9CYP2D6ALOX5

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9249106-B2 Substituted hydrazide compounds and use thereof SHENYANG J & HEALTH PHARMACEUTICAL CO., LTD. (CN) 2016-02-02 US disclosed
US-9249106-B2 Substituted hydrazide compounds and use thereof SHENYANG J & HEALTH PHARMACEUTICAL CO., LTD. (CN) 2016-02-02 US disclosed
EP-2468730-A1 SUBSTITUTED HYDRAZIDE COMPOUNDS AND APPLICATION THEREOF Shenyang J & Health Pharmaceutical Co., Ltd. (CN) 2012-06-27 EP disclosed
US-20120142921-A1 SUBSTITUTED HYDRAZIDE COMPOUNDS AND USE THEREOF SHENYANG J & HEALTH PHARMACEUTICAL CO., LTD. (CN) 2012-06-07 US disclosed
US-20120142921-A1 SUBSTITUTED HYDRAZIDE COMPOUNDS AND USE THEREOF SHENYANG J & HEALTH PHARMACEUTICAL CO., LTD. (CN) 2012-06-07 US disclosed
US-6306979-B1 Derivatized carbon monoxide copolymers BASF AKTIENGESELLSCHAFT (DE) 2001-10-23 US disclosed
US-6284868-B1 AT LEAST ONE 1-ALKENE THAT IS AN ARYL DERIVATIVE SUBSTITUTED WITH AT LEAST ONE TERMINAL ALLYL AND/OR HOMOALLYL MOIETY AND CONTAINING ONE OR MORE POLAR GROUPS; GROUP VIII METAL COMPLEX CATALYST BASF AKTIENGESELLSCHAFT (DE) 2001-09-04 US disclosed
EP-1064317-A1 DERIVATIZED CARBON MONOXIDE COPOLYMERS BASF AKTIENGESELLSCHAFT (DE) 2001-01-03 EP disclosed
EP-0991696-A1 FUNCTIONALISED CARBON MONOXIDE COPOLYMERS BASF AKTIENGESELLSCHAFT (DE) 2000-04-12 EP disclosed
WO-1999058607-A1 POLYMER MIXTURES CONTAINING CARBON MONOXIDE/α-OLEFIN COPOLYMERS AND COPOLYMERS MADE OF VINYL AROMATIC COMPOUNDS AND VINYL CYANIDES BASF AKTIENGESELLSCHAFT (DE) 1999-11-18 WO disclosed
WO-1999047583-A1 DERIVATIZED CARBON MONOXIDE COPOLYMERS BASF AKTIENGESELLSCHAFT (DE) 1999-09-23 WO disclosed
WO-1999000443-A1 FUNCTIONALISED CARBON MONOXIDE COPOLYMERS BASF AKTIENGESELLSCHAFT (DE) 1999-01-07 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 (1 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-20120142921-A1 SUBSTITUTED HYDRAZIDE COMPOUNDS AND USE THEREOF SLC5A1, VHL, AKR1A1 CYP2C19 103/4885CYP1A2 132/4885CYP2C9 72/4885

“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.