SCHEMBL822013

SCHEMBL822013

C=CCC(C)(C(=O)O)C(=O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
TSHR P16473 2/20 0.50
HTT P42858 1/20 0.44
MAPT P10636 1/20 0.41
CES1 P23141 2/20 0.41
AKT1 P31749 1/20 0.41
SRC P12931 1/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 2/20 0.38
ELANE P08246 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
MAPK1 P28482 1/20 0.37
HIF1A Q16665 1/20 0.37
POLB P06746 1/20 0.37
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL8438693 0.93 ALDH1A1 (0.49) ALDH1A1TSHRHTTMAPTCES1
SCHEMBL9164231 0.85 SMN1; SMN2 (0.44) ALDH1A1TSHRHTTKMT2AMEN1
SCHEMBL9164480 0.84 LMNA (0.51) ALDH1A1HTTLMNACYP3A4TDP1
SCHEMBL28888069 0.83 SRC (0.51) ALDH1A1TSHRHTTMAPTCES1
SCHEMBL10956205 0.82 ALDH1A1 (0.49) ALDH1A1TSHRHTTMAPTCES1
SCHEMBL11086781 0.81 MAPT (0.50) ALDH1A1TSHRHTTMAPTCES1
SCHEMBL4808857 0.78 CES1 (0.47) ALDH1A1TSHRMAPTCES1SRC
SCHEMBL8898434 0.77 TSHR (0.44) ALDH1A1TSHRHTTMAPTCES1
SCHEMBL528085 0.77 TSHR (0.42) ALDH1A1TSHRHTTMAPTKMT2A
SCHEMBL3305369 0.77 ALDH1A1 (0.50) ALDH1A1TSHRHTTMAPTCES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5082588-A Hygrometers ELLIOTT STANLEY B (US) 1992-01-21 US claimed
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

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 ALDH1A1 312/4885TSHR 3934/4885HTT 1384/4885
US-20140100383-A1 AROMATIC ACYLATION WITH CYCLIC ANHYDRIDE FOR PLASTICIZER PRODUCTION ACAD11, ACOT7, ACOX3 ALDH1A1 312/4885TSHR 3934/4885HTT 1384/4885

“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.