SCHEMBL2941544

SCHEMBL2941544

CCCc1ccc(-c2ccc(O)c(C)c2)cc1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.61
CNR1 P21554 1/20 0.53
CNR2 P34972 1/20 0.53
HSD17B1 P14061 4/20 0.53
HSD17B2 P37059 4/20 0.53
ESR2 Q92731 7/20 0.52
ESR1 P03372 6/20 0.52
ALOX5 P09917 2/20 0.50
HCAR2 Q8TDS4 1/20 0.48
RARB P10826 1/20 0.48
AR P10275 3/20 0.46
GABRA1 P14867 1/20 0.43
GABRB2 P47870 1/20 0.43
CYP17A1 P05093 1/20 0.43

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
SCHEMBL25804086 0.85 HSD17B1 (0.56) MCL1HSD17B1HSD17B2ESR2ESR1
SCHEMBL28740702 0.85 MCL1 (0.65) MCL1CNR1CNR2ALOX5CYP17A1
SCHEMBL332894 0.84 CNR1 (0.67) MCL1CNR1CNR2ESR2ESR1
SCHEMBL2862161 0.82 ESR2 (0.69) HSD17B1HSD17B2ESR2ESR1HCAR2
Propane SCHEMBL17699241 0.82 HSD17B1 (0.61) HSD17B1HSD17B2ESR2ESR1AR
SCHEMBL13589555 0.82 HSD17B1 (0.72) MCL1HSD17B1HSD17B2ESR2ESR1
SCHEMBL3811825 0.82 HSD17B1 (0.72) MCL1HSD17B1HSD17B2ESR2ESR1
SCHEMBL24411254 0.81 MCL1 (0.44) MCL1CNR1CNR2HSD17B1HSD17B2
SCHEMBL10435290 0.80 MCL1 (0.59) MCL1CNR1CNR2HSD17B1HSD17B2
SCHEMBL29696046 0.79 HSD17B1 (0.68) MCL1HSD17B1HSD17B2ESR2ESR1

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
US-7785675-B2 Compound and liquid crystal composition ADEKA CORPORATION (JP) 2010-08-31 US disclosed
US-7785675-B2 Compound and liquid crystal composition ADEKA CORPORATION (JP) 2010-08-31 US disclosed
US-7785675-B2 Compound and liquid crystal composition ADEKA CORPORATION (JP) 2010-08-31 US disclosed
US-20090103041-A1 Novel compound and liquid crystal composition ADEKA CORPORATION (JP) 2009-04-23 US disclosed
US-20090103041-A1 Novel compound and liquid crystal composition ADEKA CORPORATION (JP) 2009-04-23 US disclosed
US-20090103041-A1 Novel compound and liquid crystal composition ADEKA CORPORATION (JP) 2009-04-23 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-20090103041-A1 Novel compound and liquid crystal composition PYM1, H1-0, H1-2 MCL1 496/4885CNR1 115/4885CNR2 259/4885

“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.