SCHEMBL6566544

SCHEMBL6566544

OC(c1ccc(Cl)cc1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.50
CYP19A1 P11511 2/20 0.49
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
UTS2R Q9UKP6 4/20 0.43
PPARG P37231 4/20 0.42
PPARA Q07869 1/20 0.42
CNR1 P21554 2/20 0.42
PDE2A O00408 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ACP3 P15309 1/20 0.41
P2RX3 P56373 1/20 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
SCHEMBL2090829 0.89 CES2 (0.55) CES2CES1PDE2AACP3
SCHEMBL10392935 0.87 CES2 (0.53) CES2CES1PDE2AACP3
SCHEMBL2276839 0.83 KIF11 (0.58) CYP19A1CES2CES1ACP3
SCHEMBL6564721 0.82 PTPN5 (0.44) CES2CES1PPARGPDE2AMEN1
SCHEMBL196588 0.82 CYP19A1 (0.55) CYP19A1CES2CES1MEN1KMT2A
SCHEMBL28777340 0.82 CYP19A1 (0.55) CYP19A1CES2CES1MEN1KMT2A
SCHEMBL1426754 0.82 TSHR (0.50) CYP19A1
SCHEMBL477425 0.81 ACP3 (0.59) CNR2CES2CES1ACP3
SCHEMBL1350356 0.81 PAX8 (0.49) CYP19A1CES2CES1PDE2AACP3
SCHEMBL477694 0.81 ACP3 (0.59) CNR2CES2CES1ACP3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040259912-A1 Benzine derivatives, process for preparing the same and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-12-23 US disclosed
EP-1437344-A1 BENZENE DERIVATIVES,PROCESS FOR PREPARING THE SAME AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2004-07-14 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 (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-20040259912-A1 Benzine derivatives, process for preparing the same and use thereof HRH4, HRH2, HRH1 CNR2 42/4885CYP19A1 611/4885CES2 2530/4885

“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.