SCHEMBL6714949

SCHEMBL6714949

COC(=O)c1ccc(-c2cccc(CO)c2)cc1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.60
BCL2 P10415 1/20 0.56
DHFR P00374 1/20 0.53
CYP4A11 Q02928 4/20 0.53
CYP4F2 P78329 3/20 0.53
LOXL2 Q9Y4K0 2/20 0.51
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
ACMSD Q8TDX5 1/20 0.50
CA12 O43570 1/20 0.50
CA9 Q16790 1/20 0.50
PRKCI P41743 1/20 0.50
PLAU P00749 1/20 0.49
ERN1 O75460 1/20 0.49
FNTA P49354 1/20 0.48
FNTB P49356 1/20 0.48
PGGT1B P53609 1/20 0.48
ADAMTS4 O75173 1/20 0.48
SLC2A1 P11166 1/20 0.48

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
SCHEMBL17740358 0.89 BCL2 (0.71) EGFRBCL2DHFRCYP4A11CYP4F2
SCHEMBL31398834 0.86 CYP4F2 (0.64) EGFRBCL2DHFRCYP4A11CYP4F2
SCHEMBL787303 0.86 CYP4F2 (0.64) EGFRBCL2DHFRCYP4A11CYP4F2
SCHEMBL4729076 0.85 BCL2 (0.57) BCL2CYP4A11CYP4F2CA1CA2
SCHEMBL28189889 0.85 EGFR (0.68) EGFRLOXL2CA1CA2CA12
SCHEMBL6481471 0.84 CA12 (0.61) EGFRDHFRCYP4A11CYP4F2LOXL2
SCHEMBL14548348 0.84 BCL2 (0.53) EGFRBCL2DHFRACMSDPRKCI
SCHEMBL1318407 0.84 HSD17B2 (0.54) EGFRBCL2DHFRCYP4A11CYP4F2
SCHEMBL5893077 0.83 LOXL2 (0.61) EGFRCYP4A11CYP4F2LOXL2CA1
SCHEMBL9939192 0.83 EGFR (0.51) EGFRCYP4A11CYP4F2LOXL2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2665744-B1 MACROCYCLIC COMPOUNDS WITH A HYBRID PEPTIDIC/NON-PEPTIDIC BACKBONE AND METHODS FOR THEIR PREPARATION UNIV ROCHESTER (US) 2015-04-08 EP disclosed
US-8986953-B2 Macrocyclic compounds with a hybrid peptidic/non-peptidic backbone and methods for their preparation UNIVERSITY OF ROCHESTER (US) 2015-03-24 US disclosed
US-20130330773-A1 MACROCYCLIC COMPOUNDS WITH A HYBRID PEPTIDIC/NON-PEPTIDIC BACKBONE AND METHODS FOR THEIR PREPARATION NATIONAL SCIENCE FOUNDATION 2013-12-12 US disclosed
EP-2665744-A2 MACROCYCLIC COMPOUNDS WITH A HYBRID PEPTIDIC/NON-PEPTIDIC BACKBONE AND METHODS FOR THEIR PREPARATION UNIVERSITY OF ROCHESTER (US) 2013-11-27 EP disclosed
WO-2012100176-A2 MACROCYCLIC COMPOUNDS WITH A HYBRID PEPTIDIC/NON-PEPTIDIC BACKBONE AND METHODS FOR THEIR PREPARATION UNIVERSITY OF ROCHESTER (US) 2012-07-26 WO disclosed
US-20040006141-A1 Amidocarboxylic acid compounds SANKYO COMPANY, LTD (JP) 2004-01-08 US disclosed
US-6528525-B1 Amidocarboxylic acid derivatives SANKYO COMPANY, LIMITED (JP) 2003-03-04 US disclosed
EP-1026149-A1 AMIDOCARBOXYLIC ACID DERIVATIVES Sankyo Company Limited (JP) 2000-08-09 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-20040006141-A1 Amidocarboxylic acid compounds NR1H2, AGK, APOL1 EGFR 629/4885BCL2 1359/4885DHFR 2034/4885
US-20130330773-A1 MACROCYCLIC COMPOUNDS WITH A HYBRID PEPTIDIC/NON-PEPTIDIC BACKBONE AND METHODS FOR THEIR PREPARATION MICA, VIP, NPEPPS EGFR 2919/4885BCL2 3764/4885DHFR 524/4885

“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.