SCHEMBL3076602

SCHEMBL3076602

COc1ccc(C2(c3ccc(O)cc3C)C(=O)Nc3c2ccc(F)c3F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.44
GPR55 Q9Y2T6 2/20 0.44
HTT P42858 1/20 0.44
GPR35 Q9HC97 1/20 0.44
PDE4D Q08499 5/20 0.37
TNIK Q9UKE5 3/20 0.36
CYTH2 Q99418 1/20 0.34
PKM P14618 1/20 0.33
ROCK2 O75116 1/20 0.33
BRD4 O60885 1/20 0.32
CHEK1 O14757 1/20 0.32
WEE1 P30291 1/20 0.32
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
POLB P06746 1/20 0.32
CASP6 P55212 1/20 0.32
ESR1 P03372 1/20 0.32
CHRM2 P08172 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
SCHEMBL3088621 0.91 GPR55 (0.53) CNR1GPR55HTTGPR35TNIK
SCHEMBL3202505 0.89 CNR1 (0.50) CNR1GPR55HTTGPR35PDE4D
SCHEMBL3072669 0.85 MAPT (0.48) CNR1GPR55HTTGPR35PDE4D
SCHEMBL15630035 0.79 CNR1 (0.32) CNR1GPR55HTTGPR35PKM
SCHEMBL3076606 0.78 CNR1 (0.55) CNR1GPR55HTTGPR35PKM
SCHEMBL3070533 0.78 GPR55 (0.56) CNR1GPR55HTTGPR35PKM
SCHEMBL29385169 0.78 GPR55 (0.56) CNR1GPR55HTTGPR35PKM
SCHEMBL3190942 0.78 CNR1 (0.57) CNR1GPR55HTTGPR35PKM
SCHEMBL3089808 0.77 CNR1 (0.54) CNR1GPR55HTTGPR35PKM
SCHEMBL3092453 0.75 CNR1 (0.50) CNR1GPR55HTTGPR35PKM

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-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 971/4885GPR55 1842/4885HTT 595/4885

“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.