SCHEMBL2768639

SCHEMBL2768639

[CH2]C(O)COc1ccc(C(C)(C)c2ccc(OCC([CH2])O)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.59
HTT P42858 2/20 0.59
AR P10275 2/20 0.58
KMT2A Q03164 5/20 0.49
MEN1 O00255 4/20 0.45
ALDH1A1 P00352 4/20 0.45
MAPT P10636 3/20 0.45
TP53 P04637 2/20 0.45
HPGD P15428 2/20 0.45
TSHR P16473 2/20 0.45
CYP1A2 P05177 1/20 0.45
PPARG P37231 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
KDM4E B2RXH2 4/20 0.42
GAA P10253 1/20 0.42
PSMB1 P20618 1/20 0.41
PSMB5 P28074 1/20 0.41
PSMB2 P49721 1/20 0.41
POLB P06746 1/20 0.41
LMNA P02545 2/20 0.40

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
SCHEMBL17580939 0.89 AR (0.76) HIF1AHTTARKMT2AMEN1
SCHEMBL11036255 0.89 MAPT (0.52) HIF1AHTTARKMT2AMEN1
SCHEMBL7062464 0.85 HIF1A (0.63) HIF1AHTTARKMT2AMEN1
SCHEMBL15254318 0.84 ALDH1A1 (0.74) HIF1AHTTARKMT2AMEN1
SCHEMBL376300 0.83 HIF1A (0.61) HIF1AHTTARKMT2AMEN1
SCHEMBL27822729 0.81 HTT (0.49) HIF1AHTTARKMT2AMEN1
SCHEMBL27841770 0.81 HTT (0.49) HIF1AHTTARKMT2AMEN1
SCHEMBL868711 0.80 AR (0.85) HIF1AHTTARKMT2AMEN1
SCHEMBL12363856 0.80 AR (0.85) HIF1AHTTARKMT2AMEN1
SCHEMBL11964790 0.80 HTT (0.67) HIF1AHTTARKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3162352-A1 METHODS AND COMPOSITIONS OF REACTIVE MATERIALS FOR DENTAL PROCEDURES Kerr Corporation (US) 2017-05-03 EP disclosed
US-20170112722-A1 METHODS AND COMPOSITIONS OF REACTIVE MATERIALS FOR DENTAL PROCEDURES KERR CORPORATION 2017-04-27 US disclosed
EP-1497696-B1 PHOTOCURABLE COMPOSITIONS CONTAINING REACTIVE PARTICLES 3D SYSTEMS INC (US) 2014-12-17 EP disclosed
US-20140349969-A1 COMPOUNDS AND METHODS FOR TREATING PAIN AKRON MOLECULES AG (AT) 2014-11-27 US disclosed
EP-2674161-A1 FMO3 inhibitors for treating pain Akron Molecules GmbH (AT) 2013-12-18 EP disclosed
US-20130252924-A1 Compounds and Methods for Treating Pain AKRON MOLECULES GMBH (AT) 2013-09-26 US disclosed
EP-1256032-B1 LIQUID, RADIATION-CURABLE COMPOSITION, ESPECIALLY FOR STEREOLITHOGRAPHY HUNTSMAN ADV MAT SWITZERLAND (CH) 2010-04-21 EP disclosed
US-7307123-B2 Photocurable compositions containing reactive particles HUNTSMAN ADVANCED MATERIALS AMERICAS INC. (US) 2007-12-11 US disclosed
US-20050228064-A1 Liquid radiation-curable composition, especially for stereolithography HUNTSMAN ADVANCED MATERIALS AMERICAS INC. (US) 2005-10-13 US disclosed
US-20050175925-A1 Photocurable compositions containing reactive particles 3D SYSTEMS, INC. 2005-08-11 US disclosed
US-20010046642-A1 Liquid, radiation-curable composition, especially for stereolithography DEUTSCHE BANK AG NEW YORK BRANCH, AS AGENT 2001-11-29 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 (3 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-20140349969-A1 COMPOUNDS AND METHODS FOR TREATING PAIN TRPV1, ACHE, OPRL1 HIF1A 722/4885HTT 384/4885AR 3036/4885
US-20130252924-A1 Compounds and Methods for Treating Pain TRPV1, ACHE, OPRL1 HIF1A 722/4885HTT 384/4885AR 3036/4885
US-20170112722-A1 METHODS AND COMPOSITIONS OF REACTIVE MATERIALS FOR DENTAL PROCEDURES PHOSPHO1, PIEZO1, ERCC1 HIF1A 1946/4885HTT 4140/4885AR 4358/4885

“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.