SCHEMBL6991237

SCHEMBL6991237

COCCOc1ccc(O)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.43
PIK3CA P42336 1/20 0.43
PIK3CB P42338 1/20 0.43
PI4KA P42356 1/20 0.43
PIK3CG P48736 1/20 0.43
PI4KB Q9UBF8 1/20 0.43
ACACB O00763 1/20 0.41
ME2 P23368 1/20 0.39
ME1 P48163 1/20 0.39
ME3 Q16798 1/20 0.39
NAMPT P43490 1/20 0.38
LIPG Q9Y5X9 1/20 0.37
DEGS1 O15121 1/20 0.36
MAPT P10636 1/20 0.36
HSD17B1 P14061 1/20 0.36
HSD17B2 P37059 1/20 0.36
PDE10A Q9Y233 1/20 0.36
PLAU P00749 1/20 0.36
ESR1 P03372 3/20 0.35
ESR2 Q92731 3/20 0.35

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
SCHEMBL18591895 0.82 LTA4H (0.48) ACACBDEGS1MAPTESR1ESR2
SCHEMBL13518503 0.81 MAPT (0.41) MAPTESR1ESR2
SCHEMBL25592544 0.81 LTA4H (0.52) ME2ME1ME3DEGS1MAPT
SCHEMBL1923377 0.80 PIK3CD (0.43) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL82719 0.78 PDE10A (0.46) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL1844682 0.78 ACACB (0.45) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL15633679 0.78 MAPT (0.56) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL177831 0.77
SCHEMBL31435885 0.77
SCHEMBL10187966 0.77 PIK3CD (0.43) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG

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-20030158245-A1 Fused heterocyclic derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-08-21 US disclosed
EP-1268486-A2 FUSED HETEROCYCLIC DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 2003-01-02 EP disclosed
WO-2001074823-A2 FUSED HETEROCYCLIC DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-10-11 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-20030158245-A1 Fused heterocyclic derivatives, their production and use TST, STS, AHR PIK3CD 4416/4885PIK3CA 4097/4885PIK3CB 4422/4885

“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.