SCHEMBL4600246

SCHEMBL4600246

COc1ccc(-c2cccc(F)c2C(=O)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.53
NPC1 O15118 1/20 0.53
KMT2A Q03164 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.50
PRKAB2 O43741 1/20 0.48
PRKAG1 P54619 1/20 0.48
PRKAA2 P54646 1/20 0.48
PRKAA1 Q13131 1/20 0.48
PRKAG3 Q9UGI9 1/20 0.48
PRKAG2 Q9UGJ0 1/20 0.48
PRKAB1 Q9Y478 1/20 0.48
GFER P55789 1/20 0.48
APP P05067 1/20 0.48
CYP2C19 P33261 1/20 0.48
ANO1 Q5XXA6 1/20 0.47
HDAC4 P56524 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL7930737 0.82 MEN1 (0.50) MEN1NPC1KMT2AANO1RAB9A
SCHEMBL1927711 0.81 FOLH1 (0.53) MEN1KMT2AALDH1A1RAB9ACES2
SCHEMBL2558833 0.79 MAPT (0.50) MEN1NPC1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL23354124 0.79 DHODH (0.47) NPC1SMN1; SMN2ANO1KDM4EALDH1A1
SCHEMBL29979189 0.79 DHODH (0.47) NPC1SMN1; SMN2ANO1KDM4EALDH1A1
SCHEMBL10000687 0.76 ABL1 (0.52) NPC1SMN1; SMN2APPHDAC4HDAC2
SCHEMBL2553386 0.76 DRD1 (0.43) ALDH1A1CES2CES1
SCHEMBL23354270 0.76 IL2 (0.49) APPCES2CES1
SCHEMBL10489884 0.76 SMN1; SMN2 (0.55) SMN1; SMN2HDAC4HDAC2HDAC8KDM4E
SCHEMBL2088466 0.76 ABL1 (0.60) NPC1SMN1; SMN2APPCYP2C19HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120330056-A1 PROCESS FOR PREPARING CHEMICAL COMPOUNDS OF INTEREST BY NUCLEOPHILIC AROMATIC SUBSTITUTION OF AROMATIC CARBOXYLIC ACID DERIVATIVES SUPPORTING AT LEAST ONE ELECTRO-ATTRACTIVE GROUP UNIVERSITE DU MAINE (FR) 2012-12-27 US disclosed
US-20120330056-A1 PROCESS FOR PREPARING CHEMICAL COMPOUNDS OF INTEREST BY NUCLEOPHILIC AROMATIC SUBSTITUTION OF AROMATIC CARBOXYLIC ACID DERIVATIVES SUPPORTING AT LEAST ONE ELECTRO-ATTRACTIVE GROUP UNIVERSITE DU MAINE (FR) 2012-12-27 US disclosed
EP-1912970-A2 ACYLTRYPTOPHANOLS FOR FERTILITY CONTROL Bayer Schering Pharma Aktiengesellschaft (DE) 2008-04-23 EP disclosed
WO-2007017289-A2 ACYLTRYPTOPHANOLS FOR FERTILITY CONTROL BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-02-15 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-20120330056-A1 PROCESS FOR PREPARING CHEMICAL COMPOUNDS OF INTEREST BY NUCLEOPHILIC AROMATIC SUBSTITUTION OF AROMATIC CARBOXYLIC ACID DERIVATIVES SUPPORTING AT LEAST ONE ELECTRO-ATTRACTIVE GROUP KYNU, NAA15, DDC MEN1 317/4885NPC1 1291/4885KMT2A 416/4885

“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.