SCHEMBL33728

SCHEMBL33728

C=CC(=O)NCCN=C=O

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPK1 P28482 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
ZDHHC20 Q5W0Z9 1/20 0.44
ZDHHC2 Q9UIJ5 1/20 0.44
TGM2 P21980 2/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.32

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
SCHEMBL33492 0.89 ZDHHC20 (0.50) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL15643463 0.79 ZDHHC20 (0.44) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL10952688 0.75 TSHR (0.68) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL167051 0.75 TSHR (0.68) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL17373914 0.74
Water SCHEMBL28173091 0.73 TSHR (0.65) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL404098 0.72
SCHEMBL17557960 0.72
SCHEMBL28220167 0.72 TSHR (0.46) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL22042618 0.71 TSHR (0.50) TSHRALDH1A1MAPK1TDP1ZDHHC20

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114921129-A Self-repairing high-refractive-index ink and preparation method and application thereof 武汉工程大学 2022-08-19 CN disclosed
EP-2470616-B1 ACRYLIC PRESSURE-SENSITIVE ADHESIVES WITH ACYLAZIRIDINE CROSSLINKING AGENTS 3M INNOVATIVE PROPERTIES CO (US) 2013-05-29 EP disclosed
US-20130053508-A1 ACRYLIC PRESSURE-SENSITIVE ADHESIVES WITH ACYLAZIRIDINE CROSSLINKING AGENTS 3M INNOVATIVE PROPERTIES COMPANY (US) 2013-02-28 US disclosed
US-8349962-B2 Acrylic pressure-sensitive adhesives with acylaziridine crosslinking agents 3M INNOVATIVE PROPERTIES COMPANY (US) 2013-01-08 US disclosed
EP-2470616-A1 ACRYLIC PRESSURE-SENSITIVE ADHESIVES WITH ACYLAZIRIDINE CROSSLINKING AGENTS 3M Innovative Properties Company (US) 2012-07-04 EP disclosed
US-20120028043-A1 ACRYLIC PRESSURE-SENSITIVE ADHESIVES WITH ACYLAZIRIDINE CROSSLINKING AGENTS 3M INNOVATIVE PROPERTIES COMPANY 2012-02-02 US disclosed
US-8067504-B2 Acrylic pressure-sensitive adhesives with acylaziridine crosslinking agents 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-11-29 US disclosed
US-20110054115-A1 ACRYLIC PRESSURE-SENSITIVE ADHESIVES WITH ACYLAZIRIDINE CROSSLINKING AGENTS 3M INNOVATIVE PROPERTIES COMPANY 2011-03-03 US disclosed
WO-2011025651-A1 ACRYLIC PRESSURE-SENSITIVE ADHESIVES WITH ACYLAZIRIDINE CROSSLINKING AGENTS 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-03-03 WO disclosed
EP-0146326-B1 SULFOPOLYESTER-CONTAINING PHOTOPOLYMER SYSTEMS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1991-03-13 EP disclosed
US-4956265-A POLYUNSATURATED WITH ESTER AND CARBOXY GROUPS; PROTECTIVE COATINGS, GRAPHIC ARTS, PHOTORESTS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1990-09-11 US disclosed
US-4914165-A PHOTOCROSSLINKABLE POLYEPOXIDE POLYESTERS USING POLY (ETHYLENICALLY-UNSATURATED)ALKANOLS AND DICARBOXYLIC ACIDS; PROTECTIVE COATINGS; GRAPHIC ARTS; WEAR RESISTANCE; ADHESION MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1990-04-03 US disclosed
EP-0329298-A2 Radiation crosslinkable compositions MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1989-08-23 EP disclosed
US-4855384-A POLYURETHANES FROM POLYESTERS OR POLY OF SULFOAROMATIC DICARBOCYLIC ACIDS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1989-08-08 US disclosed
US-4746717-A COATINGS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1988-05-24 US disclosed
US-4558149-A FILMS;COATINGS;PHOTORESISTS;LOW MOLECULAR WEIGHT MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1985-12-10 US disclosed
EP-0146326-A2 Sulfopolyester-containing photopolymer systems MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1985-06-26 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 (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-20110054115-A1 ACRYLIC PRESSURE-SENSITIVE ADHESIVES WITH ACYLAZIRIDINE CROSSLINKING AGENTS AAAS, PTK2, MDN1 TSHR 4840/4885ALDH1A1 492/4885MAPK1 676/4885

“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.