SCHEMBL290087

SCHEMBL290087

CCCCc1ccc2c(c1)CC(C(=O)OCC)C2

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
KDM4E B2RXH2 3/20 0.45
KMT2A Q03164 2/20 0.45
DRD2 P14416 1/20 0.44
DRD3 P35462 1/20 0.44
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
S1PR1 P21453 4/20 0.40
S1PR3 Q99500 3/20 0.40
S1PR4 O95977 1/20 0.40
S1PR5 Q9H228 1/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39

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
SCHEMBL10529585 0.85 CYP4F2 (0.54) ALDH1A1KDM4EKMT2ACYP4F2CYP4A11
SCHEMBL10530706 0.83 KDM4E (0.47) ALDH1A1KDM4EKMT2ACYP4F2CYP4A11
SCHEMBL289550 0.83 S1PR1 (0.48) ALDH1A1DRD3S1PR1S1PR3S1PR4
SCHEMBL11497493 0.79 S1PR3 (0.53) ALDH1A1S1PR1S1PR3S1PR4S1PR5
SCHEMBL4767013 0.78 ALDH1A1 (0.43) ALDH1A1KDM4EKMT2ASMN1; SMN2MEN1
SCHEMBL794501 0.77 KMT2A (0.49) ALDH1A1KDM4EKMT2ASMN1; SMN2MEN1
SCHEMBL31537552 0.77 KMT2A (0.49) ALDH1A1KDM4EKMT2ASMN1; SMN2MEN1
SCHEMBL15823733 0.77 KDM4E (0.49) ALDH1A1KDM4EKMT2AMEN1GAA
SCHEMBL11891942 0.77 HSD17B3 (0.46) ALDH1A1KDM4EKMT2AS1PR5
SCHEMBL9370726 0.76 ALDH1A1 (0.54) ALDH1A1KDM4EKMT2ASMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210002202-A1 Substituted Aromatic Compounds and Pharmaceutical Uses Thereof PROMETIC BIOSCIENCES, INC. (CA) 2021-01-07 US disclosed
US-20210002202-A1 Substituted Aromatic Compounds and Pharmaceutical Uses Thereof PROMETIC BIOSCIENCES, INC. (CA) 2021-01-07 US disclosed
US-10815183-B2 Substituted aromatic compounds and pharmaceutical uses thereof PROMETIC PHARMA SMT LIMITED (GB) 2020-10-27 US disclosed
US-10815183-B2 Substituted aromatic compounds and pharmaceutical uses thereof PROMETIC PHARMA SMT LIMITED (GB) 2020-10-27 US disclosed
US-20180162799-A1 SUBSTITUTED AROMATIC COMPOUNDS AND PHARMACEUTICAL USES THEREOF PROMETIC PHARMA SMT LIMITED (GB) 2018-06-14 US disclosed
US-20180162799-A1 SUBSTITUTED AROMATIC COMPOUNDS AND PHARMACEUTICAL USES THEREOF PROMETIC PHARMA SMT LIMITED (GB) 2018-06-14 US disclosed
US-20180162799-A1 SUBSTITUTED AROMATIC COMPOUNDS AND PHARMACEUTICAL USES THEREOF PROMETIC PHARMA SMT LIMITED (GB) 2018-06-14 US disclosed
US-9938221-B2 Substituted aromatic compounds and pharmaceutical uses thereof PROMETIC PHARMA SMT LIMITED (GB) 2018-04-10 US disclosed
US-9938221-B2 Substituted aromatic compounds and pharmaceutical uses thereof PROMETIC PHARMA SMT LIMITED (GB) 2018-04-10 US disclosed
EP-2427416-B1 SUBSTITUTED AROMATIC COMPOUNDS AND PHARMACEUTICAL USES THEREOF PROMETIC PHARMA SMT LTD (GB) 2016-03-09 EP disclosed
US-20150094372-A1 SUBSTITUTED AROMATIC COMPOUNDS AND PHARMACEUTICAL USES THEREOF Liminal Biosciences Limited (GB) 2015-04-02 US disclosed
US-8927765-B2 Substituted aromatic compounds and pharmaceutical uses thereof PROMETIC BIOSCIENCES INC. (CA) 2015-01-06 US disclosed
US-8927765-B2 Substituted aromatic compounds and pharmaceutical uses thereof PROMETIC BIOSCIENCES INC. (CA) 2015-01-06 US disclosed
US-8927765-B2 Substituted aromatic compounds and pharmaceutical uses thereof PROMETIC BIOSCIENCES INC. (CA) 2015-01-06 US disclosed
US-20120088784-A1 Substituted Aromatic Compounds and Pharmaceutical Uses thereof PROMETIC PHARMA SMT LIMITED (GB) 2012-04-12 US disclosed
US-20120088784-A1 Substituted Aromatic Compounds and Pharmaceutical Uses thereof PROMETIC PHARMA SMT LIMITED (GB) 2012-04-12 US disclosed
US-20120088784-A1 Substituted Aromatic Compounds and Pharmaceutical Uses thereof PROMETIC PHARMA SMT LIMITED (GB) 2012-04-12 US disclosed
EP-2427416-A1 SUBSTITUTED AROMATIC COMPOUNDS AND PHARMACEUTICAL USES THEREOF ProMetic BioSciences Inc. (CA) 2012-03-14 EP disclosed
WO-2010127440-A1 SUBSTITUTED AROMATIC COMPOUNDS AND PHARMACEUTICAL USES THEREOF PROMETIC BIOSCIENCES INC. (CA) 2010-11-11 WO disclosed
WO-2010127440-A1 SUBSTITUTED AROMATIC COMPOUNDS AND PHARMACEUTICAL USES THEREOF PROMETIC BIOSCIENCES INC. (CA) 2010-11-11 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 (5 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-20180162799-A1 SUBSTITUTED AROMATIC COMPOUNDS AND PHARMACEUTICAL USES THEREOF TYR, PAH, REN ALDH1A1 190/4885KDM4E 1702/4885KMT2A 2789/4885
US-10815183-B2 Substituted aromatic compounds and pharmaceutical uses thereof TYR, PAH, REN ALDH1A1 190/4885KDM4E 1702/4885KMT2A 2789/4885
US-20210002202-A1 Substituted Aromatic Compounds and Pharmaceutical Uses Thereof TYR, PAH, REN ALDH1A1 190/4885KDM4E 1702/4885KMT2A 2789/4885
US-20150094372-A1 SUBSTITUTED AROMATIC COMPOUNDS AND PHARMACEUTICAL USES THEREOF TYR, PAH, REN ALDH1A1 190/4885KDM4E 1702/4885KMT2A 2789/4885
US-20120088784-A1 Substituted Aromatic Compounds and Pharmaceutical Uses thereof TYR, PAH, REN ALDH1A1 190/4885KDM4E 1702/4885KMT2A 2789/4885

“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.