SCHEMBL311704

SCHEMBL311704

C[Si](C)(C)CCOCn1cnc(-c2cccc(C(F)(F)F)c2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR1 P25024 1/20 0.43
DGAT1 O75907 1/20 0.40
GPR55 Q9Y2T6 1/20 0.40
TLR8 Q9NR97 1/20 0.39
F2RL3 Q96RI0 1/20 0.39
ALOX5AP P20292 1/20 0.38
FEN1 P39748 1/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
GABRA1 P14867 1/20 0.38
HPGD P15428 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL27776224 0.88 DGAT1 (0.43) DGAT1TLR8F2RL3ALOX5APFEN1
SCHEMBL24229626 0.83 CYP2E1 (0.38) DGAT1TLR8KDM4ECYP3A4KDR
SCHEMBL1505957 0.82 HPGDS (0.42) CXCR1DGAT1CYP3A4TDP1
SCHEMBL31106991 0.82 HSD17B1 (0.41) CYP3A4FYN
SCHEMBL24955615 0.82 HSD17B1 (0.41) CYP3A4FYN
SCHEMBL4069982 0.81 HPGDS (0.41) CXCR1DGAT1CYP3A4TDP1
SCHEMBL31403194 0.79 DGAT1 (0.39) DGAT1ALOX5APFEN1CYP3A4KMO
SCHEMBL4062141 0.79 DGAT1 (0.38) CXCR1DGAT1ALOX5APFEN1ALDH1A1
SCHEMBL2369367 0.78 CYP11B1 (0.39) DGAT1KDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL24955614 0.77 CYP2A6 (0.63) DGAT1KDM4EALDH1A1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101679439-B P70S 6 kinase inhibitors LILLY CO ELI 2013-09-11 CN disclosed
US-20120071490-A1 P70 S6 KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2012-03-22 US disclosed
US-8093383-B2 P70 S6 kinase inhibitors ELI LILLY AND COMPANY (US) 2012-01-10 US disclosed
CN-101679439-A P70S 6 kinase inhibitors LILLY CO ELI 2010-03-24 CN disclosed
US-20090163714-A1 P70 S6 KINASE INHIBITORS ELI LILLY AND COMPANY 2009-06-25 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 (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-20090163714-A1 P70 S6 KINASE INHIBITORS RPS6KA6, RPS6KA1, RPS6KA2 CXCR1 4183/4885DGAT1 2397/4885GPR55 2732/4885
US-20120071490-A1 P70 S6 KINASE INHIBITORS RPS6KA6, RPS6KA1, RPS6KA2 CXCR1 4183/4885DGAT1 2397/4885GPR55 2732/4885

“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.