SCHEMBL6567040

SCHEMBL6567040

OC(c1ccc(C(F)(F)F)cc1)c1cccc(F)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.47
MTOR P42345 1/20 0.45
OPRM1 P35372 1/20 0.43
OPRL1 P41146 1/20 0.43
CES2 O00748 3/20 0.42
CES1 P23141 2/20 0.42
PNMT P11086 1/20 0.42
ACP3 P15309 1/20 0.42
CASR P41180 2/20 0.42
TOP2A P11388 1/20 0.42
TOP2B Q02880 1/20 0.42
ADAM17 P78536 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
MAOB P27338 1/20 0.40
PTPN5 P54829 1/20 0.39

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
SCHEMBL230519 0.83 CES2 (0.49) CES2CES1HDAC4HDAC7HDAC5
SCHEMBL227352 0.83 CES2 (0.55) CES2CES1HDAC4HDAC7HDAC5
SCHEMBL6564721 0.81 PTPN5 (0.44) OPRL1CES2CES1PNMTACP3
SCHEMBL21035067 0.81 ACP3 (0.41) CES2CES1PNMTACP3CASR
SCHEMBL230487 0.81 IDO1 (0.52) CES2CES1HDAC4HDAC7HDAC5
SCHEMBL477425 0.81 ACP3 (0.59) OPRM1OPRL1CES2CES1ACP3
SCHEMBL477694 0.81 ACP3 (0.59) OPRM1OPRL1CES2CES1ACP3
SCHEMBL1350356 0.81 PAX8 (0.49) CES2CES1ACP3TOP2ATOP2B
SCHEMBL2090829 0.81 CES2 (0.55) CES2CES1ACP3TOP2ATOP2B
Water SCHEMBL28529645 0.80 ACP3 (0.58) OPRM1OPRL1CES2CES1ACP3

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 SLC7A5 937/4885MTOR 4361/4885OPRM1 9/4885

“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.