SCHEMBL16701090

SCHEMBL16701090

CCOC(=O)c1c(-c2ccc(Br)cc2F)nnn1C[Si](C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 6/20 0.45
PTGES O14684 2/20 0.43
CYP19A1 P11511 4/20 0.40
TSHR P16473 2/20 0.40
ALDH1A1 P00352 1/20 0.40
USP2 O75604 1/20 0.37
POLB P06746 1/20 0.37
TP53 P04637 1/20 0.37
ELANE P08246 1/20 0.36
APAF1 O14727 1/20 0.36
SMAD3 P84022 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
SCHEMBL16700525 0.84 ALOX5 (0.45) ALOX5PTGESCYP19A1TSHRALDH1A1
SCHEMBL16700699 0.82 CYP19A1 (0.49) CYP19A1POLBTP53
SCHEMBL2683467 0.78 ALDH1A1 (0.46) ALOX5TSHRALDH1A1TP53
SCHEMBL2688524 0.74 TSHR (0.41) TSHRALDH1A1TP53
SCHEMBL5771514 0.72 ALOX5 (0.53) ALOX5PTGESTSHRALDH1A1POLB
SCHEMBL23856156 0.71 MAOB (0.39) CYP19A1TSHRALDH1A1USP2
SCHEMBL2688091 0.71 LMNA (0.45) CYP19A1ALDH1A1USP2POLB
SCHEMBL15465704 0.70 HTT (0.54) ALOX5PTGESTSHRALDH1A1POLB
SCHEMBL15919052 0.70 TSHR (0.36) ALOX5PTGESTSHRALDH1A1POLB
SCHEMBL16700712 0.69 L3MBTL1 (0.43) ALDH1A1POLB

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-9321738-B2 N-alkyltriazole compounds as LPAR antagonists HOFFMAN-LA ROCHE INC. (US) 2016-04-26 US disclosed
US-20150133511-A1 N-ALKYLTRIAZOLE COMPOUNDS AS LPAR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2015-05-14 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 (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-20150133511-A1 N-ALKYLTRIAZOLE COMPOUNDS AS LPAR ANTAGONISTS LPAR1, LPAR2, LPAR3 ALOX5 224/4885PTGES 846/4885CYP19A1 3907/4885

“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.