SCHEMBL6469338

SCHEMBL6469338

CCc1[nH]c(CC)c(-c2ccc(C#N)cc2)c1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRIA2 P42262 8/20 0.48
GRIA4 P48058 8/20 0.48
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
AR P10275 2/20 0.41
MMP2 P08253 3/20 0.40
MMP3 P08254 2/20 0.40
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40
CYP2A6 P11509 1/20 0.39
PGR P06401 1/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MAP2 P11137 1/20 0.36
MMP1 P03956 1/20 0.36
MMP9 P14780 1/20 0.36
MMP13 P45452 1/20 0.36
PTGER4 P35408 1/20 0.36

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
SCHEMBL4919125 0.89 GRIA2 (0.46) GRIA2GRIA4ALDH1A1GAAHPGD
SCHEMBL4921193 0.89 GRIA2 (0.46) GRIA2GRIA4ALDH1A1GAAHPGD
SCHEMBL6464882 0.87 MAP2 (0.43) GRIA2GRIA4ALDH1A1GAAHPGD
SCHEMBL6466109 0.85 ALDH1A1 (0.59) GRIA2GRIA4ALDH1A1GAAHPGD
SCHEMBL4918452 0.79 GRIA2 (0.42) GRIA2GRIA4ALDH1A1HPGDAR
SCHEMBL6466743 0.77 CYP2A6 (0.44) GRIA2GRIA4ALDH1A1GAAHPGD
SCHEMBL6466967 0.77 MAP2 (0.42) GRIA2GRIA4ALDH1A1GAAHPGD
SCHEMBL5362730 0.75 AR (0.44) GRIA2GRIA4ALDH1A1GAAAR
SCHEMBL6468391 0.75 ALDH1A1 (0.57) GRIA2GRIA4ALDH1A1GAAHPGD
SCHEMBL4918939 0.75 KMT2A (0.48) GRIA2GRIA4ALDH1A1GAAAR

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 GRIA2 715/4885GRIA4 665/4885ALDH1A1 2144/4885

“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.