SCHEMBL3027810

SCHEMBL3027810

COC(=O)/C=C/c1ccc(N)cc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
KDM4E B2RXH2 4/20 0.49
MAPT P10636 3/20 0.49
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
TP53 P04637 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
HPGD P15428 1/20 0.49
ALOX15 P16050 1/20 0.49
CYP2C19 P33261 1/20 0.49
HSD17B10 Q99714 1/20 0.49
MIF P14174 1/20 0.44
EPHX2 P34913 1/20 0.43
TTR P02766 1/20 0.43
APP P05067 1/20 0.43
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA9 Q16790 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
SCHEMBL3027813 1.00 ALDH1A1 (0.49) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL1920268 0.84 ALDH1A1 (0.51) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL30236249 0.84 ALDH1A1 (0.51) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL7413912 0.84 ALDH1A1 (0.51) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL1920178 0.84 ALDH1A1 (0.51) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL13226110 0.84 MIF (0.41) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL1100699 0.84 CYP3A4 (0.48) MAPTCYP1A2MIFTTRCA12
SCHEMBL3030898 0.84 CYP3A4 (0.48) MAPTCYP1A2MIFTTRCA12
SCHEMBL1013781 0.83 ALDH1A1 (0.50) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL15080498 0.83 ALDH1A1 (0.67) ALDH1A1KDM4EMAPTKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7855300-B2 Bis(trimethylsilyl)phenyl compound or salt thereof, and use thereof TAIHO PHARMACEUTICAL CO., LTD. (JP) 2010-12-21 US disclosed
US-20100210591-A1 BIS(TRIMETHYLSILYL)PHENYL COMPOUND OR SALT THEREOF, AND USE THEREOF TAIHO PHARMACEUTICAL CO., LTD. (JP) 2010-08-19 US disclosed
EP-2202235-A1 BIS(TRIMETHYLSILYL)PHENYL COMPOUND OR SALT THEREOF, AND USE THEREOF Taiho Pharmaceutical Co., Ltd. (JP) 2010-06-30 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-20100210591-A1 BIS(TRIMETHYLSILYL)PHENYL COMPOUND OR SALT THEREOF, AND USE THEREOF RARA, RARB, RXRA ALDH1A1 1156/4885KDM4E 791/4885MAPT 4787/4885

“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.