SCHEMBL3709397

SCHEMBL3709397

Cc1cc2cc(C(C)(C)C)[nH]c2cc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.38
ALDH1A1 P00352 5/20 0.38
HPGD P15428 4/20 0.38
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 1/20 0.38
GRIN3A Q8TCU5 1/20 0.38
HSD17B10 Q99714 8/20 0.36
MAPT P10636 5/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
FABP6 P51161 1/20 0.35
ATM Q13315 2/20 0.34
CACNA1B Q00975 1/20 0.34
APBA1 Q02410 1/20 0.34
MCL1 Q07820 1/20 0.34
CYP1A2 P05177 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
SCHEMBL19194782 0.84 AMY1A (0.31)
SCHEMBL14845717 0.84 DAO (0.33)
SCHEMBL19194696 0.84 ALDH1A1 (0.32) ALDH1A1HPGD
SCHEMBL4568309 0.81 EHMT2 (0.43) KDM4EALDH1A1HPGDGRIN2DGRIN3B
SCHEMBL14845719 0.80 EHMT2 (0.32) SYK
SCHEMBL12786668 0.77 CHEK1 (0.36) SYKCYP2A6KEAP1
SCHEMBL26262426 0.77 GPR84 (0.42) KDM4EALDH1A1HPGDSYK
SCHEMBL22330349 0.77 AR (0.39) KDM4EALDH1A1HPGDGRIN2DGRIN3B
SCHEMBL10412474 0.77 CYP2A6 (0.50) KDM4EALDH1A1HPGDGRIN2DGRIN3B
SCHEMBL4568034 0.75 DAO (0.49) KDM4EALDH1A1HPGDGRIN2DGRIN3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2474530-B1 INDOLE DERIVATIVE AND PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL (JP) 2014-09-03 EP disclosed
EP-2474530-B1 INDOLE DERIVATIVE AND PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL (JP) 2014-09-03 EP disclosed
EP-2474530-A1 INDOLE DERIVATIVE AND PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2012-07-11 EP disclosed
US-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-05-17 US disclosed
US-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-05-17 US disclosed
US-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-05-17 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-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF PTGER1, CYSLTR1, LTB4R KDM4E 3521/4885ALDH1A1 422/4885HPGD 1020/4885

“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.