SCHEMBL3089822

SCHEMBL3089822

COc1cc(C)c2c(c1)C(c1ccc(O)cc1)(C1CCCC1)C(=O)N2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.40
HTT P42858 1/20 0.40
GPR35 Q9HC97 1/20 0.40
GPR55 Q9Y2T6 1/20 0.40
ADAM17 P78536 1/20 0.34
ALDH1A1 P00352 3/20 0.33
ADORA3 P0DMS8 1/20 0.33
MAPT P10636 1/20 0.33
ATM Q13315 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CYP19A1 P11511 1/20 0.33
TAS2R31 P59538 1/20 0.33
OPRD1 P41143 1/20 0.33
EGFR P00533 1/20 0.33
MAPK1 P28482 2/20 0.32
CYP26A1 O43174 2/20 0.32
ALOX15 P16050 1/20 0.32
MAPK10 P53779 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CYP24A1 Q07973 1/20 0.32

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
SCHEMBL13145666 0.99 CNR1 (0.39) CNR1HTTGPR35GPR55ADAM17
SCHEMBL3085960 0.99 CNR1 (0.39) CNR1HTTGPR35GPR55ADAM17
SCHEMBL3084189 0.86 CNR1 (0.43) CNR1HTTGPR35GPR55ALDH1A1
SCHEMBL3090059 0.85 CNR1 (0.42) CNR1HTTGPR35GPR55ALDH1A1
SCHEMBL3084362 0.85 CNR1 (0.42) CNR1HTTGPR35GPR55ALDH1A1
SCHEMBL3080833 0.84 CNR1 (0.41) CNR1HTTGPR35GPR55ALDH1A1
SCHEMBL3085945 0.84 CNR1 (0.41) CNR1HTTGPR35GPR55ALDH1A1
SCHEMBL3089839 0.83 CNR1 (0.41) CNR1HTTGPR35GPR55ALDH1A1
SCHEMBL13145686 0.83 CNR1 (0.41) CNR1HTTGPR35GPR55ALDH1A1
SCHEMBL3078145 0.83 CNR1 (0.41) CNR1HTTGPR35GPR55ALDH1A1

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
US-20100227863-A1 SUBSTITUTED 3-(4-HYDROXYPHENYL)-INDOLIN-2-ONE COMPOUNDS TOPOTARGET A/S (DK) 2010-09-09 US claimed
US-20100227863-A1 SUBSTITUTED 3-(4-HYDROXYPHENYL)-INDOLIN-2-ONE COMPOUNDS TOPOTARGET A/S (DK) 2010-09-09 US disclosed
US-20100227863-A1 SUBSTITUTED 3-(4-HYDROXYPHENYL)-INDOLIN-2-ONE COMPOUNDS TOPOTARGET A/S (DK) 2010-09-09 US disclosed
US-20100227863-A1 SUBSTITUTED 3-(4-HYDROXYPHENYL)-INDOLIN-2-ONE COMPOUNDS TOPOTARGET A/S (DK) 2010-09-09 US disclosed
WO-2008129075-A1 SUBSTITUTED 3-(4-HYDROXYPHENYL)-INDOLIN-2-ONE-COMPOUNDS TOPOTARGET A/S (DK) 2008-10-30 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-20100227863-A1 SUBSTITUTED 3-(4-HYDROXYPHENYL)-INDOLIN-2-ONE COMPOUNDS TPH2, TPH1, HTR2C CNR1 971/4885HTT 595/4885GPR35 1160/4885

“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.