SCHEMBL3638330

SCHEMBL3638330

CC(C)=CC(=O)CCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.62
SMN1; SMN2 Q16637 2/20 0.57
HPGD P15428 1/20 0.57
GPR52 Q9Y2T5 1/20 0.56
KEAP1 Q14145 1/20 0.55
FFAR1 O14842 1/20 0.52
MAPT P10636 2/20 0.50
HTT P42858 1/20 0.50
HDAC2 Q92769 2/20 0.48
HDAC8 Q9BY41 2/20 0.48
HDAC6 Q9UBN7 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
KDM4E B2RXH2 1/20 0.47
RECQL P46063 1/20 0.47
HDAC1 Q13547 2/20 0.47
KMT2A Q03164 1/20 0.47
HDAC3 O15379 1/20 0.47
MAPK1 P28482 1/20 0.47
ADRA1A P35348 1/20 0.47
HDAC4 P56524 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
SCHEMBL17429280 0.87 ALDH1A1 (0.66) ALDH1A1SMN1; SMN2HPGDGPR52KEAP1
SCHEMBL14571875 0.82 GPR52 (0.58) ALDH1A1SMN1; SMN2GPR52KEAP1FFAR1
SCHEMBL28945946 0.82 GPR52 (0.58) ALDH1A1SMN1; SMN2GPR52KEAP1FFAR1
SCHEMBL23929239 0.81 GPR52 (0.56) ALDH1A1SMN1; SMN2GPR52KEAP1FFAR1
SCHEMBL23929240 0.81 GPR52 (0.56) ALDH1A1SMN1; SMN2GPR52KEAP1FFAR1
SCHEMBL5229814 0.80 CES1 (0.52) ALDH1A1SMN1; SMN2HPGDMAPTHTT
SCHEMBL6207002 0.78 GPR52 (0.53) ALDH1A1SMN1; SMN2HPGDGPR52KEAP1
SCHEMBL2322246 0.78 KEAP1 (0.61) ALDH1A1SMN1; SMN2GPR52KEAP1FFAR1
SCHEMBL14259536 0.78 GPR52 (0.49) ALDH1A1HPGDGPR52KEAP1FFAR1
SCHEMBL6990805 0.78 GPR52 (0.49) ALDH1A1HPGDGPR52KEAP1FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8410135-B2 4,5 dihydro-(1H)-pyrazole derivatives as cannabinoid CB1 receptor modulators SOLVAY PHARMACEUTICALS B.V. (NL) 2013-04-02 US disclosed
US-8410135-B2 4,5 dihydro-(1H)-pyrazole derivatives as cannabinoid CB1 receptor modulators SOLVAY PHARMACEUTICALS B.V. (NL) 2013-04-02 US disclosed
US-8410135-B2 4,5 dihydro-(1H)-pyrazole derivatives as cannabinoid CB1 receptor modulators SOLVAY PHARMACEUTICALS B.V. (NL) 2013-04-02 US disclosed
EP-2158184-A2 4,5-DIHYDRO-(1H)-PYRAZOLE DERIVATIVES AS CANNABINOID CB1 RECEPTOR MODULATORS Solvay Pharmaceuticals B.V. (NL) 2010-03-03 EP disclosed
WO-2008152086-A2 4,5-DIHYDRO-(1H)-PYRAZOLE DERIVATIVES AS CANNABINOID CB1 RECEPTOR MODULATORS SOLVAY PHARMACEUTICALS B.V. (NL) 2008-12-18 WO disclosed
WO-2008152086-A2 4,5-DIHYDRO-(1H)-PYRAZOLE DERIVATIVES AS CANNABINOID CB1 RECEPTOR MODULATORS SOLVAY PHARMACEUTICALS B.V. (NL) 2008-12-18 WO disclosed
US-20080312276-A1 4,5 Dihydro-(1H)-Pyrazole Derivatives as Cannabinoid CB1 Receptor Modulators SOLVAY PHARMACEUTICALS, B.V. 2008-12-18 US disclosed
US-20080312276-A1 4,5 Dihydro-(1H)-Pyrazole Derivatives as Cannabinoid CB1 Receptor Modulators SOLVAY PHARMACEUTICALS, B.V. 2008-12-18 US disclosed
US-20080312276-A1 4,5 Dihydro-(1H)-Pyrazole Derivatives as Cannabinoid CB1 Receptor Modulators SOLVAY PHARMACEUTICALS, B.V. 2008-12-18 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 (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-20080312276-A1 4,5 Dihydro-(1H)-Pyrazole Derivatives as Cannabinoid CB1 Receptor Modulators CNR1, CNR2, GPR35 ALDH1A1 4160/4885SMN1; SMN2 1740/4885HPGD 1182/4885

“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.