SCHEMBL6469698

SCHEMBL6469698

Cc1c(-c2ccc(C#N)cc2)c(C)n(Cc2ccc(C#N)cc2)c1C(=O)OCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AR P10275 9/20 0.61
FNTA P49354 1/20 0.47
FNTB P49356 1/20 0.47
PGGT1B P53609 1/20 0.47
TSHR P16473 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
PTGDR2 Q9Y5Y4 1/20 0.42
TDP1 Q9NUW8 2/20 0.42
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 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
SCHEMBL6466963 0.86 AR (0.49) ARFNTAFNTBPGGT1BTSHR
SCHEMBL6464447 0.83 AR (0.53) ARFNTAFNTBTSHRMEN1
SCHEMBL6466939 0.83 AR (0.67) ARTSHRMEN1KMT2APTGDR2
SCHEMBL6466315 0.80 AR (0.59) ARTSHRMEN1KMT2APTGDR2
SCHEMBL6466727 0.78 AR (0.60) ARMEN1KMT2APTGDR2MAPT
SCHEMBL6469613 0.78 AR (0.57) ARTSHRMEN1KMT2APTGDR2
SCHEMBL6466328 0.78 AR (0.57) ARTSHRMEN1KMT2APTGDR2
SCHEMBL6468911 0.76 AR (1.00) ARTSHRTDP1MAPTLMNA
SCHEMBL6889627 0.75 AR (0.67) ARPTGDR2KDM4ELMNA
SCHEMBL13356428 0.75 AR (0.56) ARTSHRTDP1MAPTKDM4E

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 6/4885FNTA 3791/4885FNTB 4268/4885

“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.