SCHEMBL6469617

SCHEMBL6469617

COC(=O)c1c(-c2ccc(C#N)c(C(F)(F)F)c2)c(C)n(Cc2ccccc2)c1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AR P10275 18/20 1.00
ALDH1A1 P00352 1/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
PKM P14618 1/20 0.48
RXRA P19793 1/20 0.46
RXRB P28702 1/20 0.46
RXRG P48443 1/20 0.46
PGR P06401 2/20 0.43

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
SCHEMBL6465295 0.92 AR (0.84) ARRXRARXRBRXRGPGR
SCHEMBL6469615 0.92 AR (0.84) ARMAPTPKMRXRARXRB
SCHEMBL6469624 0.89 AR (0.81) ARRXRARXRBRXRGPGR
SCHEMBL6465994 0.88 AR (0.79) ARALDH1A1GAAMAPTPKM
SCHEMBL6466910 0.87 AR (0.77) ARRXRARXRBRXRGPGR
SCHEMBL6465913 0.86 AR (0.76) ARALDH1A1GAAMAPTPKM
SCHEMBL6467875 0.82 AR (0.69) ARRXRARXRBRXRGPGR
SCHEMBL6468214 0.81 AR (0.78) ARALDH1A1GAAMAPTPKM
SCHEMBL6468911 0.81 AR (1.00) ARALDH1A1GAAMAPTPKM
SCHEMBL6466411 0.80 AR (0.78) ARALDH1A1GAAMAPTPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050101657-A1 Pyrrole derivatives for preventing or treating cancer sensitive to hormones; administered with luteininzing hormone releasing hormone derivative TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 2005-05-12 US 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-20050101657-A1 Pyrrole derivatives for preventing or treating cancer sensitive to hormones; administered with luteininzing hormone releasing hormone derivative SHBG, PRLHR, FSHR AR 6/4885ALDH1A1 2144/4885GAA 4752/4885

“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.