SCHEMBL5981771

SCHEMBL5981771

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.43
GABRP O00591 2/20 0.32
GABRD O14764 2/20 0.32
GABRA1 P14867 2/20 0.32
GABRB1 P18505 2/20 0.32
GABRG2 P18507 2/20 0.32
GABRB3 P28472 2/20 0.32
GABRA5 P31644 2/20 0.32
GABRA3 P34903 2/20 0.32
GABRA2 P47869 2/20 0.32
GABRB2 P47870 2/20 0.32
GABRA4 P48169 2/20 0.32
GABRE P78334 2/20 0.32
GABRA6 Q16445 2/20 0.32
GABRG1 Q8N1C3 2/20 0.32
GABRG3 Q99928 2/20 0.32
GABRQ Q9UN88 2/20 0.32
KDM4E B2RXH2 1/20 0.32
TSHR P16473 1/20 0.32
ITGB1 P05556 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
SCHEMBL2857650 0.83
SCHEMBL5463147 0.83
SCHEMBL346752 0.81 KDM4E (0.33) TP53GABRPGABRDGABRA1GABRB1
SCHEMBL2416426 0.81 KDM4E (0.33) TP53GABRPGABRDGABRA1GABRB1
SCHEMBL346751 0.81 KDM4E (0.33) TP53GABRPGABRDGABRA1GABRB1
SCHEMBL9396910 0.80 TP53 (0.33) TP53GABRPGABRDGABRA1GABRB1
SCHEMBL9244527 0.80 TP53 (0.33) TP53GABRPGABRDGABRA1GABRB1
Hydrochloric Acid SCHEMBL9168486 0.79 KDM1A (0.32) TP53GABRPGABRDGABRA1GABRB1
SCHEMBL28808090 0.79 KDM1A (0.32) TP53GABRPGABRDGABRA1GABRB1
SCHEMBL10802104 0.78 GABRP (0.33) GABRPGABRDGABRA1GABRB1GABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5514727-A OPTICAL FIBER COATINGS, POLYETHER OR POLYESTER POLYOLS ENDCAPPED WITH HYDROXY VINYL ETHER ALLIEDSIGNAL INC. (US) 1996-05-07 US claimed
US-20180179499-A1 BIOBASED PRODUCTION OF FUNCTIONALIZED ALPHA-SUBSTITUTED ACRYLATES AND C4-DICARBOXYLATES LCY BIOSCIENCES INC. (CA) 2018-06-28 US disclosed
EP-3303375-A1 BIOBASED PRODUCTION OF FUNCTIONALIZED ALPHA-SUBSTITUTED ACRYLATES AND C4-DICARBOXYLATES BioAmber Inc. (US) 2018-04-11 EP disclosed
WO-2016196962-A1 BIOBASED PRODUCTION OF FUNCTIONALIZED ALPHA-SUBSTITUTED ACRYLATES AND C4-DICARBOXYLATES BIOAMBER INC. (US) 2016-12-08 WO disclosed
EP-1622963-A2 RADIATION CURABLE THIOL-ENE COMPOSITION DSM IP Assets B.V. (NL) 2006-02-08 EP disclosed
WO-2004101649-A2 RADIATION CURABLE THIOL-ENE COMPOSITION DSM IP ASSETS B.V. (NL) 2004-11-25 WO disclosed
EP-0773977-B1 COUPLING AGENTS FOR VINYL ETHER-BASED COATING SYSTEMS ALLIED SIGNAL INC (US) 2000-04-05 EP disclosed
EP-0909797-A1 Stabilizers for vinyl ether-based coating systems AlliedSignal Inc. (US) 1999-04-21 EP disclosed
US-5672675-A Vinyl ether-terminated polyester oligomer stabilizers for vinyl ether-based coating systems ALLIEDSIGNAL, INC. (US) 1997-09-30 US disclosed
EP-0773977-A1 COUPLING AGENTS FOR VINYL ETHER-BASED COATING SYSTEMS AlliedSignal Inc. (US) 1997-05-21 EP disclosed
US-5539014-A Adhesion promoters for vinyl ether-based coating systems ALLIEDSIGNAL INC. (US) 1996-07-23 US disclosed
US-5514727-A OPTICAL FIBER COATINGS, POLYETHER OR POLYESTER POLYOLS ENDCAPPED WITH HYDROXY VINYL ETHER ALLIEDSIGNAL INC. (US) 1996-05-07 US disclosed
US-5491178-A STABILIZING, INHIBITING THE DEHYDROGENATION BY APPLYING A COATING MIXTURE COMPRISING HINDERED PHENOLS, ORGANIC SULFIDES OR DISULFIDES AND TRANSITION METAL SALTS OR COMPLEXES ALLIEDSIGNAL INC. (US) 1996-02-13 US disclosed
WO-1996002596-A1 COUPLING AGENTS FOR VINYL ETHER-BASED COATING SYSTEMS ALLIEDSIGNAL INC. (US) 1996-02-01 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 (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-20180179499-A1 BIOBASED PRODUCTION OF FUNCTIONALIZED ALPHA-SUBSTITUTED ACRYLATES AND C4-DICARBOXYLATES COASY, ADSL, ALAD TP53 630/4885GABRP 494/4885GABRD 253/4885

“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.