SCHEMBL3018673

SCHEMBL3018673

C[Si](C)(C)c1cc(C(=O)Nc2ccc(CCC(=O)O)cc2)cc([Si](C)(C)C)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 2/20 0.60
ITGB3 P05106 1/20 0.52
ITGB1 P05556 1/20 0.52
ITGAV P06756 1/20 0.52
ITGA2B P08514 1/20 0.52
ITGB5 P18084 1/20 0.52
CCR5 P51681 3/20 0.47
FFAR1 O14842 7/20 0.46
PTGDR2 Q9Y5Y4 2/20 0.46
IKBKE Q14164 1/20 0.46
TBK1 Q9UHD2 1/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.44
DUSP3 P51452 1/20 0.44
PTPN5 P54829 1/20 0.44
PTPN11 Q06124 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL13027010 0.89 NR1H4 (0.60) NR1H4ITGB3ITGB1ITGAVITGA2B
SCHEMBL3012184 0.87 NR1H4 (0.48) NR1H4ITGB3ITGB1ITGAVITGA2B
SCHEMBL3026744 0.84 CYP4F2 (0.50) NR1H4CCR5MEN1KMT2A
SCHEMBL15427591 0.82 NR1H4 (0.64) NR1H4ITGB3ITGB1ITGAVITGA2B
SCHEMBL3024520 0.81 FFAR1 (0.43) ITGB3ITGAVITGA2BFFAR1PTGDR2
SCHEMBL13027031 0.81 NPC1 (0.42) NR1H4FFAR1MEN1KMT2AKDM4E
Amsilarotene SCHEMBL1133175 0.80 MEN1 (0.58) FFAR1MEN1KMT2AKDM4ETP53
SCHEMBL1232960 0.78 NR1H4 (0.71) NR1H4ITGB3ITGB1ITGAVITGA2B
SCHEMBL17664553 0.77 NR1H4 (0.74) NR1H4ITGB3ITGB1ITGAVITGA2B
SCHEMBL13027034 0.76 TOP1 (0.38) NR1H4ITGB3ITGB1ITGA2BFFAR1

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 10 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 claimed
US-20100210591-A1 BIS(TRIMETHYLSILYL)PHENYL COMPOUND OR SALT THEREOF, AND USE THEREOF TAIHO PHARMACEUTICAL CO., LTD. (JP) 2010-08-19 US claimed
EP-2202235-A1 BIS(TRIMETHYLSILYL)PHENYL COMPOUND OR SALT THEREOF, AND USE THEREOF Taiho Pharmaceutical Co., Ltd. (JP) 2010-06-30 EP claimed
US-8633335-B2 Retinoid prodrug compound Research Founation Itsuu Laboratory (JP) 2014-01-21 US disclosed
US-7855300-B2 Bis(trimethylsilyl)phenyl compound or salt thereof, and use thereof TAIHO PHARMACEUTICAL CO., LTD. (JP) 2010-12-21 US disclosed
US-7855300-B2 Bis(trimethylsilyl)phenyl compound or salt thereof, and use thereof TAIHO PHARMACEUTICAL CO., LTD. (JP) 2010-12-21 US disclosed
US-20100286427-A1 RETINOID PRODRUG COMPOUND RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2010-11-11 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
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 (2 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-20100286427-A1 RETINOID PRODRUG COMPOUND STRA6, RXRA, RXRB NR1H4 30/4885ITGB3 2509/4885ITGB1 3388/4885
US-20100210591-A1 BIS(TRIMETHYLSILYL)PHENYL COMPOUND OR SALT THEREOF, AND USE THEREOF RARA, RARB, RXRA NR1H4 31/4885ITGB3 916/4885ITGB1 808/4885

“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.