SCHEMBL4289243

SCHEMBL4289243

Cc1ccc(Cl)cc1OBOc1cc(Cl)ccc1C

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.45
TRPV4 Q9HBA0 1/20 0.40
EPAS1 Q99814 1/20 0.40
HTR2A P28223 5/20 0.38
SLC6A4 P31645 4/20 0.38
KCNH2 Q12809 4/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
RAPGEF4 Q8WZA2 1/20 0.36
TSHR P16473 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
CYP2A6 P11509 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL820044 0.83 PTGDR2 (0.42) CYP3A4TRPV4EPAS1HTR2ASLC6A4
SCHEMBL624403 0.83 TSHR (0.47) CYP3A4HTR2ASLC6A4TSHRHTR2C
SCHEMBL594053 0.77 ACHE (0.44) TSHRHTR2BCYP2A6ALDH1A1LMNA
SCHEMBL1912444 0.77 TRPV4 (0.52) CYP3A4TRPV4HTR2ASLC6A4KCNH2
SCHEMBL769716 0.77 TP53 (0.46) CYP3A4TSHRALDH1A1LMNA
SCHEMBL25871832 0.77 TRPV4 (0.52) CYP3A4TRPV4HTR2ASLC6A4KCNH2
SCHEMBL519223 0.77 TRPV4 (0.47) TRPV4SLC6A4KCNH2TSHRALDH1A1
SCHEMBL3537469 0.77 TRPV4 (0.47) TRPV4SLC6A4KCNH2TSHRALDH1A1
SCHEMBL2281581 0.76 PPARG (0.38) TRPV4EPAS1HTR2ASLC6A4KCNH2
SCHEMBL3407778 0.74 ALDH1A1 (0.50) CYP3A4TSHRALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7595397-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-29 US disclosed
US-20090099183-A1 PYRIMIDINES AND USES THEREOF CELL THERAPEUTICS, INC. (US) 2009-04-16 US disclosed
US-7419984-B2 Pyrimidines and uses thereof CELL THERAPEUTICS, INC. (US) 2008-09-02 US disclosed
US-20080015223-A1 Pyrazole Derivatives as Modulators of the 5-Ht2a Serotonin Receptor Useful for the Treatment of Disorders Related Thereto ARENA PHARMACEUTICALS, INC. (US) 2008-01-17 US disclosed
US-20070191340-A1 Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-08-16 US disclosed
WO-2006060762-A2 PYRAZOLE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2006-06-08 WO disclosed
US-20040204386-A1 Pyrimidines and uses thereof CELL THERAPEUTICS, INC. 2004-10-14 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 (4 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-20040204386-A1 Pyrimidines and uses thereof LPCAT3, LPCAT1, APRT CYP3A4 4728/4885TRPV4 4456/4885EPAS1 1190/4885
US-20080015223-A1 Pyrazole Derivatives as Modulators of the 5-Ht2a Serotonin Receptor Useful for the Treatment of Disorders Related Thereto HTR5A, HTR2A, HTR3A CYP3A4 223/4885TRPV4 984/4885EPAS1 854/4885
US-20090099183-A1 PYRIMIDINES AND USES THEREOF LPCAT3, LPCAT1, APRT CYP3A4 4816/4885TRPV4 4319/4885EPAS1 900/4885
US-20070191340-A1 Compounds Which Modulate The CB2 Receptor CNR1, CNR2, ARRB1 CYP3A4 1201/4885TRPV4 365/4885EPAS1 887/4885

“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.