SCHEMBL6469348

SCHEMBL6469348

Cc1[nH]c(C(C)C)c(C(=O)O)c1-c1ccc(C#N)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 2/20 0.43
FNTB P49356 2/20 0.43
AR P10275 2/20 0.39
GRIA2 P42262 1/20 0.38
GRIA4 P48058 1/20 0.38
MMP2 P08253 4/20 0.37
MMP3 P08254 3/20 0.37
MMP1 P03956 2/20 0.37
MMP7 P09237 2/20 0.37
MMP9 P14780 2/20 0.37
MMP13 P45452 2/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 1/20 0.37
PIN1 Q13526 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
SLC11A2 P49281 1/20 0.35
ESR1 P03372 1/20 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
SCHEMBL6466372 0.88 MAP2 (0.42) FNTAFNTBARMMP2MMP3
SCHEMBL6469507 0.86 KMT2A (0.52) FNTAFNTBARMMP2MMP3
SCHEMBL4918939 0.84 KMT2A (0.48) FNTAFNTBARGRIA2GRIA4
SCHEMBL5362730 0.82 AR (0.44) FNTAFNTBARGRIA2GRIA4
SCHEMBL6469556 0.79 AR (0.40) FNTAFNTBARGRIA2GRIA4
SCHEMBL4921193 0.78 GRIA2 (0.46) FNTAFNTBARGRIA2GRIA4
SCHEMBL5355574 0.77 GYS1 (0.40) FNTAFNTBARGRIA2GRIA4
SCHEMBL4918840 0.76 FASN (0.39) FNTAFNTBARGRIA2GRIA4
SCHEMBL4918452 0.76 GRIA2 (0.42) FNTAFNTBARGRIA2GRIA4
SCHEMBL6464376 0.75 KMT2A (0.51) FNTAFNTBARMMP2MMP3

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-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
EP-1466902-A1 ANDROGEN RECEPTOR ANTAGONISTS Takeda Chemical Industries, Ltd. (JP) 2004-10-13 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-20050101657-A1 Pyrrole derivatives for preventing or treating cancer sensitive to hormones; administered with luteininzing hormone releasing hormone derivative SHBG, PRLHR, FSHR FNTA 3791/4885FNTB 4268/4885AR 6/4885

“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.