SCHEMBL4996302

SCHEMBL4996302

Cc1ccc(-c2c(C(=O)O)[nH]c3ccc(Cl)c(Cc4ccccc4)c23)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.48
ALDH1A1 P00352 3/20 0.48
HPGD P15428 2/20 0.48
MEN1 O00255 1/20 0.48
HTT P42858 1/20 0.48
GFER P55789 1/20 0.48
KMT2A Q03164 1/20 0.48
HSD17B10 Q99714 1/20 0.48
MAP2 P11137 2/20 0.45
GRIN1 Q05586 4/20 0.43
GPR17 Q13304 3/20 0.41
MCL1 Q07820 4/20 0.40
FBP1 P09467 1/20 0.39
DPP4 P27487 1/20 0.37
DPP8 Q6V1X1 1/20 0.37
DPP9 Q86TI2 1/20 0.37

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
SCHEMBL6360987 0.79 MAP2 (0.46) KDM4EALDH1A1MEN1KMT2AMAP2
SCHEMBL5738434 0.72 ALDH1A1 (0.56) ALDH1A1HPGDMEN1KMT2AHSD17B10
SCHEMBL3091494 0.70 KDM4E (0.66) KDM4EALDH1A1HPGDMEN1HTT
SCHEMBL5699201 0.70 ALDH1A1 (0.54) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL9547957 0.67 MAP2 (0.51) KDM4EALDH1A1HPGDMAP2MCL1
SCHEMBL11300000 0.67 ALDH1A1 (0.65) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL19330991 0.66 GPR17 (0.44) ALDH1A1MEN1KMT2AMAP2GRIN1
SCHEMBL3107289 0.66 ALDH1A1 (1.00) KDM4EALDH1A1HPGDMEN1HTT
SCHEMBL8938387 0.65 NHERF1 (0.66) KDM4EALDH1A1MEN1KMT2AMAP2
SCHEMBL29030308 0.65 PDE9A (0.56) KDM4EALDH1A1HPGDMEN1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7396940-B2 Combinatorial library of 3-aryl-1H-indole-2-carboxylic acid HOFFMANN-LA ROCHE INC. (US) 2008-07-08 US disclosed
WO-2005040073-A2 SOLID PHASE SYNTHESIS OF 3-ARYL-2- INDOLYLCARBOXYLIC ACIDS F. HOFFMANN-LA ROCHE AG (CH) 2005-05-06 WO disclosed
US-20050089935-A1 Combinatorial library of 3-aryl-1h-indole-2-carboxylic acid CAI JIANPING (US) 2005-04-28 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-20050089935-A1 Combinatorial library of 3-aryl-1h-indole-2-carboxylic acid AADAC, KYNU, DDC KDM4E 3666/4885ALDH1A1 253/4885HPGD 1691/4885

“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.