SCHEMBL2134251

SCHEMBL2134251

O=C(C(=O)c1ccc(Oc2ccc(C(=O)C(=O)c3ccccc3)cc2)cc1)c1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CES2 O00748 8/20 0.71
CES1 P23141 7/20 0.71
PARP10 Q53GL7 2/20 0.63
SRD5A2 P31213 3/20 0.61
AKR1C3 P42330 1/20 0.55
PGR P06401 1/20 0.55
POLB P06746 1/20 0.55
ALDH1A1 P00352 1/20 0.54
KMT2A Q03164 1/20 0.54
PARP15 Q460N3 1/20 0.54
PARP14 Q460N5 1/20 0.54
PARP16 Q8N5Y8 1/20 0.54
PARP11 Q9NR21 1/20 0.54
PARP4 Q9UKK3 1/20 0.54
MAPT P10636 1/20 0.54
HPGD P15428 1/20 0.54
RAB9A P51151 1/20 0.54
ERCC5 P28715 1/20 0.53
FEN1 P39748 1/20 0.53

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
SCHEMBL13567254 1.00 CES2 (0.71) CES2CES1PARP10SRD5A2AKR1C3
SCHEMBL9250736 1.00 CES2 (0.71) CES2CES1PARP10SRD5A2AKR1C3
SCHEMBL9242631 0.98 CES2 (0.68) CES2CES1PARP10SRD5A2AKR1C3
SCHEMBL4189871 0.95 PARP10 (0.69) CES2CES1PARP10SRD5A2AKR1C3
SCHEMBL11126420 0.90 CES2 (0.61) CES2CES1PARP10SRD5A2PGR
SCHEMBL11034320 0.90 AKR1C3 (0.61) CES2CES1PARP10SRD5A2AKR1C3
SCHEMBL13569209 0.89 CES2 (0.57) CES2CES1PARP10SRD5A2ALDH1A1
SCHEMBL13569201 0.89 CES2 (0.57) CES2CES1PARP10SRD5A2ALDH1A1
SCHEMBL14614403 0.89 CES2 (0.57) CES2CES1PARP10SRD5A2ALDH1A1
SCHEMBL9250355 0.87 CES2 (0.60) CES2CES1PARP10SRD5A2AKR1C3

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 92 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5207577-A Dental adhesive BAYER AKTIENGESELLSCHAFT (DE) 1993-05-04 US claimed
EP-0110465-B1 BIPHENYLENE END-CAPPED QUINOXALINE POLYMERS AND THEIR USE AS INSULATING COATINGS FOR SEMICONDUCTOR DEVICES International Business Machines Corporation (US) 1993-01-20 EP claimed
EP-0110465-A2 Biphenylene end-capped quinoxaline polymers and their use as insulating coatings for semiconductor devices International Business Machines Corporation (US) 1984-06-13 EP claimed
US-10894848-B2 Polyarylene resins ROHM AND HAAS ELECTRONIC MATERIALS LLC (US) 2021-01-19 US disclosed
EP-3336126-A1 POLYARYLENE RESINS Rohm and Haas Electronic Materials LLC (US) 2018-06-20 EP disclosed
US-20180162968-A1 POLYARYLENE RESINS U.S. BANK TRUST COMPANY, NATIONAL ASSOCIATION, AS NOTES COLLATERAL AGENT 2018-06-14 US disclosed
EP-1476416-B1 MULTIFUNCTIONAL MONOMERS AND THEIR USE IN MAKING CROSS-LINKED POLYMERS AND POROUS FILMS DOW GLOBAL TECHNOLOGIES LLC (US) 2015-12-30 EP disclosed
US-20150191607-A1 Anti-fouling Paints and Coatings REACTIVE SURFACES, LTD (US) 2015-07-09 US disclosed
US-20140196631-A1 VISUAL ASSAYS FOR COATINGS INCORPORATING BIOACTIVE ENZYMES FOR CATALYTIC FUNCTIONS REACTIVE SURFACE, LTD. (US) 2014-07-17 US disclosed
EP-2039683-B1 Vasculostatic agents and methods of use thereof TARGEGEN INC (US) 2012-12-19 EP disclosed
US-20120097194-A1 Polymeric Coatings Incorporating Bioactive Enzymes for Catalytic Function REACTIVE SURFACES, LTD. (US) 2012-04-26 US disclosed
US-4304898-A HEAT RESIST METAL WIRE COATINGS INSTITUT FRANCAIS DU PETROLE (FR) 1981-12-08 US disclosed
US-4159251-A Ultrafiltration membranes based on heteroaromatic polymers PHARMACO, INC. (US) 1979-06-26 US disclosed
US-4147868-A AEROSPACE POLYMERS THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 1979-04-03 US disclosed
US-4098825-A ACETYLENE-SUBSTITUTED AROMATIC BENZILS AND ACETYLENE-TERMINATED QUINOXALINE COMPOSITIONS THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 1978-07-04 US disclosed
US-4086232-A PLASTICIZERS FOR THERMOPLASTIC RESINS THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 1978-04-25 US disclosed
US-4084970-A Organic volume phase holographic recording media using sucrose benzoate RCA CORPORATION (US) 1978-04-18 US disclosed
US-4076634-A Composition for antifriction material KORSHAK VASILY VLADIMIROVICH 1978-02-28 US disclosed
US-4022746-A CONDENSATION, AROMATIC DIGLYOXYL OR DIBENZIL, ORTHO-DIAMINE THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 1977-05-10 US disclosed
US-3944614-A 2,2'-Bis(phenylethynyl-5,5'-diaminobenzidine THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 1976-03-16 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-10894848-B2 Polyarylene resins PIN1, HSD17B12, PCBP1 CES2 299/4885CES1 748/4885PARP10 4/4885

“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.