SCHEMBL8164397

SCHEMBL8164397

COc1ccc(Br)c(B2OC(C)(C)C(C)(C)O2)c1F

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LPL P06858 2/20 0.36
LIPG Q9Y5X9 2/20 0.36
LARS1 Q9P2J5 2/20 0.33
NQO2 P16083 1/20 0.31
ERN1 O75460 1/20 0.31
CSF1R P07333 1/20 0.31
EGFR P00533 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL31466923 0.83 LPL (0.37) LPLLIPGCSF1REGFR
SCHEMBL25871728 0.83 LPL (0.37) LPLLIPGCSF1REGFR
SCHEMBL15796063 0.78 LPL (0.37) LPLLIPGCSF1REGFRKDM4E
SCHEMBL30278920 0.78 ALDH1A1 (0.40) LPLLIPGKDM4EALDH1A1
SCHEMBL26058390 0.78 LPL (0.38) LPLLIPGCSF1REGFR
SCHEMBL29012935 0.78 LPL (0.38) LPLLIPGCSF1REGFRALDH1A1
SCHEMBL20508307 0.77 LPL (0.40) LPLLIPGCSF1REGFR
SCHEMBL30385846 0.77 LPL (0.40) LPLLIPGCSF1REGFR
SCHEMBL21272121 0.76 EGFR (0.38) LPLLIPGCSF1REGFRKDM4E
SCHEMBL25311940 0.76 KDM4E (0.35) LPLLIPGKDM4EALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150315127-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. 2015-11-05 US disclosed
US-20150315127-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. 2015-11-05 US disclosed
US-9024071-B2 Therapeutic compounds UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2015-05-05 US disclosed
US-9024071-B2 Therapeutic compounds UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2015-05-05 US disclosed
US-20100179109-A1 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. 2010-07-15 US disclosed
US-20100179109-A1 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. 2010-07-15 US disclosed
WO-2008124575-A1 RENIN INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-10-16 WO 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-20100179109-A1 RENIN INHIBITORS REN, ACE, AGTR1 LPL 603/4885LIPG 136/4885LARS1 2985/4885
US-20150315127-A1 THERAPEUTIC COMPOUNDS HTR2C, GRK2, GRK3 LPL 2017/4885LIPG 1774/4885LARS1 4374/4885

“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.