SCHEMBL6863788

SCHEMBL6863788

COc1ccc(Cc2c(C)cc(N)cc2C)cc1Cc1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.42
ALDH1A1 P00352 2/20 0.39
CA2 P00918 1/20 0.38
DHFR P00374 1/20 0.38
HTT P42858 1/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
OPRK1 P41145 1/20 0.37
SLC6A2 P23975 3/20 0.37
SLC6A4 P31645 3/20 0.37
SLC6A3 Q01959 3/20 0.37
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
GPR55 Q9Y2T6 1/20 0.36
CYP19A1 P11511 1/20 0.36
TLR7 Q9NYK1 1/20 0.36

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
SCHEMBL6904592 0.84 CA2 (0.38) GAAALDH1A1CA2POLBHPGD
SCHEMBL6858246 0.81 SMN1; SMN2 (0.46) GAAALDH1A1HPGDSMN1; SMN2OPRK1
SCHEMBL6862641 0.78 SMN1; SMN2 (0.43) GAAALDH1A1POLBSMN1; SMN2OPRK1
SCHEMBL4206031 0.77 PTGER1 (0.35) GAAALDH1A1CA2POLBHPGD
SCHEMBL18998446 0.77 THRB (0.40) SLC6A4
SCHEMBL29320855 0.76 OPRK1 (0.42) OPRK1
SCHEMBL6903617 0.76 MAPT (0.52) GAAALDH1A1POLBSMN1; SMN2CYP19A1
SCHEMBL6862542 0.76 MTNR1A (0.43) GAAALDH1A1HPGDSMN1; SMN2OPRK1
SCHEMBL3155899 0.75 OPRK1 (0.39) GAAALDH1A1OPRK1
SCHEMBL4961897 0.75 PTGER1 (0.33) ALDH1A1POLBHPGDSMN1; SMN2CNR1

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
EP-1286957-B1 DIPHENYLMETHANE DERIVATIVES BAYER HEALTHCARE AG (DE) 2004-11-03 EP disclosed
US-6803480-B2 THERAPEUTIC TREATMENT AND/OR PROPHYLAXIS OF ARTERIOSCLEROSIS AND HYPERCHOLESTEROLAEMIA BAYER AKTIENGESELLSCHAFT (DE) 2004-10-12 US disclosed
US-20030203898-A1 Therapeutic treatment and/or prophylaxis of arteriosclerosis and hypercholesterolaemia BAYER AKTIENGESELLSCHAFT (DE) 2003-10-30 US disclosed
EP-1286957-A1 DIPHENYLMETHANE DERIVATIVES Bayer Aktiengesellschaft (DE) 2003-03-05 EP disclosed
WO-2001090053-A1 DIPHENYLMETHANE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2001-11-29 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-20030203898-A1 Therapeutic treatment and/or prophylaxis of arteriosclerosis and hypercholesterolaemia APOB, HMGCR, PCSK9 GAA 1550/4885ALDH1A1 1351/4885CA2 3807/4885

“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.