SCHEMBL13344634

SCHEMBL13344634

COc1ccc2cc(C(=O)C#Cc3cc(Cl)cc(Cl)c3)ccc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.51
APP P05067 1/20 0.50
HPGD P15428 3/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C19 P33261 1/20 0.48
HSD17B10 Q99714 1/20 0.48
PLAU P00749 1/20 0.42
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
POLB P06746 1/20 0.41
PTGS2 P35354 1/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NPC1 O15118 1/20 0.40
ATM Q13315 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL2659689 0.84 HPGDS (0.57)
SCHEMBL21679451 0.82 APP (0.58) KDM4EAPPHPGDALDH1A1CYP1A2
SCHEMBL29869041 0.82 APP (0.58) KDM4EAPPHPGDALDH1A1CYP1A2
SCHEMBL3250837 0.81 NQO1 (0.43) KDM4EAPPHPGDALDH1A1MAPT
SCHEMBL2252968 0.80 APP (0.62) APPHPGDPOLBMAPTMEN1
SCHEMBL2662882 0.76 HSD17B10 (0.58) KDM4EHPGDALDH1A1CYP1A2CYP2C19
SCHEMBL11199460 0.73 KDM4E (0.64) KDM4EHPGDALDH1A1CYP1A2CYP2C19
SCHEMBL10069794 0.73 APP (0.84) APPPOLBMEN1KMT2ANPC1
SCHEMBL17858186 0.72 APP (0.63) APPSMN1; SMN2
SCHEMBL10309631 0.71 MEN1 (0.70) KDM4EHPGDCYP1A2LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7709658-B2 Process for synthesizing a substituted pyrazole MERCK SHARP & DOHME CORP. (US) 2010-05-04 US disclosed
US-7709658-B2 Process for synthesizing a substituted pyrazole MERCK SHARP & DOHME CORP. (US) 2010-05-04 US disclosed
US-20090054662-A1 Process for synthesizing a substituted pyrazole MERCK SHARP & DOHME LLC 2009-02-26 US disclosed
US-20090054662-A1 Process for synthesizing a substituted pyrazole MERCK SHARP & DOHME LLC 2009-02-26 US disclosed
WO-2007015999-A2 PROCESS FOR SYNTHESIZING A SUBSTITUTED PYRAZOLE MERCK & CO., INC. (US) 2007-02-08 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-20090054662-A1 Process for synthesizing a substituted pyrazole GLP1R, GCGR, GIPR KDM4E 2966/4885APP 1781/4885HPGD 760/4885

“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.