SCHEMBL6401720

SCHEMBL6401720

C=CCn1c2cc[c]cc2c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 2/20 0.41
ALPL P05186 1/20 0.41
CYP19A1 P11511 1/20 0.41
KMT2A Q03164 7/20 0.40
MEN1 O00255 6/20 0.40
RXFP1 Q9HBX9 1/20 0.40
MAPT P10636 2/20 0.39
RAB9A P51151 1/20 0.39
USP2 O75604 1/20 0.39
TNNI3 P19429 1/20 0.39
TNNT2 P45379 1/20 0.39
TNNC1 P63316 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
GPR35 Q9HC97 1/20 0.39
GPR55 Q9Y2T6 1/20 0.39

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
SCHEMBL11498378 0.92 GAA (0.36) ALDH1A1GAAHPGDHTTALPL
SCHEMBL6400753 0.90 ALDH1A1 (0.44) ALDH1A1GAAHPGDHTTCYP1A2
SCHEMBL146503 0.84 CYP1A2 (0.56) ALDH1A1GAAHPGDHTTCYP1A2
SCHEMBL5160261 0.81 CYP3A4 (0.35) ALDH1A1GAAHPGDHTTALPL
SCHEMBL334753 0.78 ALDH1A1 (0.55) ALDH1A1HPGDHTTCYP1A2CYP2C19
SCHEMBL553110 0.78 ALDH1A1 (0.49) ALDH1A1GAAHPGDHTTCYP1A2
SCHEMBL7977261 0.77 CYP19A1 (0.72) ALDH1A1CYP1A2CYP2C19CYP19A1KMT2A
SCHEMBL10766886 0.74 ALDH1A1 (0.44) ALDH1A1GAAHPGDHTTCYP1A2
SCHEMBL9709253 0.74 ALDH1A1 (0.58) ALDH1A1GAAKMT2AMEN1RAB9A
SCHEMBL30493502 0.74 ALDH1A1 (0.58) ALDH1A1GAAKMT2AMEN1RAB9A

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-20030149072-A1 Substituted arylcycloalkanes, compositions containing them and use thereof AVENTIS PHARMA S.A. (FR) 2003-08-07 US claimed
US-6887904-B2 Substituted arylcycloalkanes, compositions containing them and use thereof AVENTIS PHARMA S. A. (FR) 2005-05-03 US disclosed
US-20030149072-A1 Substituted arylcycloalkanes, compositions containing them and use thereof AVENTIS PHARMA S.A. (FR) 2003-08-07 US disclosed
US-4543310-A MULTILAYER-SUPPORT WITH PHOTOCONDUCTIVE LAYER CONTAINING AZINE CHARGE TRANSFER AGENT IN BINDER OCE-NEDERLAND B.V. (NL) 1985-09-24 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-20030149072-A1 Substituted arylcycloalkanes, compositions containing them and use thereof ABL1, MCL1, AHR ALDH1A1 682/4885GAA 1425/4885HPGD 2895/4885

“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.