SCHEMBL822012

SCHEMBL822012

C=CCc1ccccc1C(=O)C(C)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.39
PTGS2 P35354 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB2 P47870 1/20 0.38
MAPT P10636 1/20 0.38
ADRB2 P07550 3/20 0.37
ADRB1 P08588 3/20 0.37
LMNA P02545 2/20 0.37
HTR1A P08908 1/20 0.37
ADRB3 P13945 1/20 0.37
ADRA2C P18825 1/20 0.37
SLC6A2 P23975 1/20 0.37
BDKRB2 P30411 1/20 0.37
SLC6A4 P31645 1/20 0.37
ADRA1A P35348 1/20 0.37
HTR2B P41595 1/20 0.37
KCNH2 Q12809 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL11362006 0.87 GABRA1 (0.42) GABRA1GABRB2MAPTADRB2ADRB1
SCHEMBL2237176 0.84 ADRB2 (0.42) GABRA1GABRB2MAPTADRB2ADRB1
SCHEMBL16966282 0.83 ALDH1A1 (0.42) GABRA1GABRB2MAPTADRB2ADRB1
SCHEMBL8114342 0.82 CLCN2 (0.42) GABRA1GABRB2KCNH2TSHRFOLH1
SCHEMBL89060 0.79 FOLH1 (0.55) GABRA1GABRB2MAPTTSHRKDM4E
Benzene SCHEMBL27083018 0.79 FOLH1 (0.55) GABRA1GABRB2MAPTTSHRKDM4E
SCHEMBL324910 0.78 LMNA (0.47) CYP2C19GABRA1GABRB2MAPTLMNA
Benzene SCHEMBL28209572 0.78 LMNA (0.47) CYP2C19GABRA1GABRB2MAPTLMNA
Potassium SCHEMBL16531822 0.78 FOLH1 (0.53) GABRA1GABRB2MAPTTSHRKDM4E
Ammonia Solution, Strong SCHEMBL16531812 0.78 FOLH1 (0.53) GABRA1GABRB2MAPTTSHRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9580571-B2 Aromatic acylation with cyclic anhydride for plasticizer production EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2017-02-28 US disclosed
US-9512296-B2 Aromatic acylation with cyclic anhydride for plasticizer production EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2016-12-06 US disclosed
US-20140100384-A1 AROMATIC ACYLATION WITH CYCLIC ANHYDRIDE FOR PLASTICIZER PRODUCTION EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2014-04-10 US disclosed
US-20140100383-A1 AROMATIC ACYLATION WITH CYCLIC ANHYDRIDE FOR PLASTICIZER PRODUCTION EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2014-04-10 US disclosed
US-8604114-B2 Aromatic acylation with cyclic anhydride for plasticizer production EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2013-12-10 US disclosed
US-20110160371-A1 AROMATIC ACYLATION WITH CYCLIC ANHYDRIDE FOR PLASTICIZER PRODUCTION EXXONMOBILE RESEARCH AND ENGINEERING COMPANY (US) 2011-06-30 US disclosed
EP-0412933-B1 Coating compositions CIBA GEIGY AG (CH) 1994-09-14 EP disclosed
US-5183842-A Mixture of ketoacid and amine with film-forming binder, curing CIBA-GEIGY CORPORATION (US) 1993-02-02 US disclosed
US-5128396-A Corrosion inhibiting primers on metallic substrates CIBA-GEIGY CORPORATION (US) 1992-07-07 US disclosed
EP-0412933-A1 Coating compositions CIBA-GEIGY AG (CH) 1991-02-13 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-20110160371-A1 AROMATIC ACYLATION WITH CYCLIC ANHYDRIDE FOR PLASTICIZER PRODUCTION ACAD11, ACOT7, ACOX3 CYP2C19 646/4885PTGS2 1836/4885GABRA1 846/4885
US-20140100383-A1 AROMATIC ACYLATION WITH CYCLIC ANHYDRIDE FOR PLASTICIZER PRODUCTION ACAD11, ACOT7, ACOX3 CYP2C19 646/4885PTGS2 1836/4885GABRA1 846/4885

“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.