SCHEMBL7048770

SCHEMBL7048770

Cc1cc2c(O)cccc2cc1C(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 4/20 0.47
HSD17B2 P37059 4/20 0.47
GABRA1 P14867 2/20 0.44
GABRB2 P47870 2/20 0.44
GRIN2D O15399 1/20 0.42
GRIN2A Q12879 1/20 0.42
GRIN2B Q13224 1/20 0.42
GRIN2C Q14957 1/20 0.42
CYP1A2 P05177 4/20 0.42
CYP3A4 P08684 4/20 0.42
MAPT P10636 3/20 0.42
CYP2C19 P33261 2/20 0.42
PLAU P00749 1/20 0.42
GAA P10253 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
LMNA P02545 4/20 0.41
SLC6A2 P23975 2/20 0.41
HTR2B P41595 2/20 0.41
HIF1A Q16665 2/20 0.41

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
SCHEMBL10022399 0.85 GRIN2D (0.49) HSD17B1HSD17B2GABRA1GABRB2GRIN2D
SCHEMBL21119018 0.81 GABRA1 (0.47) HSD17B1HSD17B2GABRA1GABRB2GRIN2D
SCHEMBL5083275 0.81 HSD17B1 (0.56) HSD17B1HSD17B2GRIN2DGRIN2AGRIN2B
SCHEMBL2608798 0.79 HSD17B1 (0.59) HSD17B1HSD17B2GRIN2DGRIN2AGRIN2B
SCHEMBL27217470 0.79 LMNA (0.38) GABRA1GABRB2CYP1A2CYP3A4MAPT
SCHEMBL2964707 0.79 CYP1A2 (0.48) HSD17B1HSD17B2GABRA1GABRB2CYP1A2
SCHEMBL19425721 0.75 HSD17B1 (0.55) HSD17B1HSD17B2GRIN2DGRIN2AGRIN2B
SCHEMBL10054046 0.75 HSD17B1 (0.59) HSD17B1HSD17B2GRIN2DGRIN2AGRIN2B
SCHEMBL11509499 0.74 CYP2A6 (0.46) GABRA1GABRB2CYP1A2CYP3A4LMNA
SCHEMBL19615843 0.74 HSD17B1 (0.50) HSD17B1HSD17B2GRIN2DGRIN2AGRIN2B

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-20120165322-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-28 US disclosed
US-20030028055-A1 High quality bisphenol a and preparation process thereof MITSUI CHEMICALS, INC. (JP) 2003-02-06 US disclosed
EP-1149816-A1 HIGH-QUALITY BISPHENOL A AND PROCESS FOR PRODUCING THE SAME Mitsui Chemicals, Inc. (JP) 2001-10-31 EP 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 (2 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-20030028055-A1 High quality bisphenol a and preparation process thereof TET2, PCBP1, PAH HSD17B1 1965/4885HSD17B2 1480/4885GABRA1 3840/4885
US-20120165322-A1 RHO KINASE INHIBITORS ROCK1, ROCK2, RHOA HSD17B1 1547/4885HSD17B2 1666/4885GABRA1 4329/4885

“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.