SCHEMBL3230477

SCHEMBL3230477

CCc1cc(C(C)=O)ccc1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 12/20 0.50
AKR1C2 P52895 12/20 0.50
AKR1B10 O60218 2/20 0.50
AKR1B1 P15121 2/20 0.50
AKR1C4 P17516 2/20 0.50
AKR1C1 Q04828 2/20 0.50
PKM P14618 1/20 0.50
POLB P06746 1/20 0.47
HSD17B1 P14061 2/20 0.46
HTT P42858 1/20 0.45
ALDH1A1 P00352 1/20 0.44
GABRP O00591 1/20 0.43
GABRD O14764 1/20 0.43
GABRA1 P14867 1/20 0.43
GABRB1 P18505 1/20 0.43
GABRG2 P18507 1/20 0.43
GABRB3 P28472 1/20 0.43
GABRA5 P31644 1/20 0.43
GABRA3 P34903 1/20 0.43
GABRA2 P47869 1/20 0.43

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
SCHEMBL277909 0.90 ALDH1A1 (0.54) POLBHTTALDH1A1GABRPGABRD
SCHEMBL10936584 0.89 HSD17B1 (0.54) PKMHSD17B1HTTALDH1A1
SCHEMBL2000489 0.85 RXRA (0.44) HSD17B1ALDH1A1GABRPGABRDGABRA1
SCHEMBL13714204 0.85 AKR1C3 (0.51) AKR1C3AKR1C2AKR1B10AKR1B1AKR1C4
SCHEMBL14360615 0.83 ALDH1A1 (0.47) HTTALDH1A1GABRPGABRDGABRA1
SCHEMBL11150842 0.80 HSP90AA1 (0.46) ALDH1A1GABRPGABRDGABRA1GABRB1
SCHEMBL11146746 0.80 KDM4E (0.53) ALDH1A1
SCHEMBL6272280 0.80 ALDH1A1 (0.46) POLBHTTALDH1A1GABRPGABRD
SCHEMBL3385017 0.80 ALDH1A1 (0.52) AKR1C3AKR1C2ALDH1A1GABRPGABRD
SCHEMBL27700587 0.80 AKR1C3 (0.46) AKR1C3AKR1C2AKR1B10AKR1B1AKR1C4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9828338-B2 Carbamate derivatives of lactam based N-acylethanolamine acid amidase (NAAA) inhibitors THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-11-28 US disclosed
US-20160068482-A1 CARBAMATE DERIVATIVES OF LACTAM BASED N-ACYLETHANOLAMINE ACID AMIDASE (NAAA) INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2016-03-10 US disclosed
WO-2014144836-A2 CARBAMATE DERIVATIVES OF LACTAM BASED N-ACYLETHANOLAMINE ACID AMIDASE (NAAA) INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-09-18 WO disclosed
WO-2010019828-A1 GLUCAGON RECEPTOR ANTAGONISTS METABASIS THERAPEUTICS, INC. (US) 2010-02-18 WO disclosed
US-6962920-B2 Pyrimidine derivatives and methods of making and using these derivatives DUQUESNE UNIVERSITY OF THE HOLY GHOST (US) 2005-11-08 US disclosed
US-20040039000-A1 Novel pyrimidine derivatives and methods of making and using these derivatives GANGJEE ALEEM (US) 2004-02-26 US disclosed
US-6537999-B2 Furopyrimidines and pyrrolopyrimidines; treating cancer, and secondary infections caused by Pneumocystis carinii and Toxoplasmosis gondii in immunocompromised patients. DUQUESNE UNIVERSITY OF THE HOLY GHOST 2003-03-25 US disclosed
US-20020052384-A1 Novel pyrimidine derivatives and methods of making and using these derivatives GANGJEE ALEEM (US) 2002-05-02 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 (3 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-20160068482-A1 CARBAMATE DERIVATIVES OF LACTAM BASED N-ACYLETHANOLAMINE ACID AMIDASE (NAAA) INHIBITORS NAAA, FAAH, FAAH2 AKR1C3 3107/4885AKR1C2 2865/4885AKR1B10 2816/4885
US-20040039000-A1 Novel pyrimidine derivatives and methods of making and using these derivatives TYMP, TYMS, DPYD AKR1C3 1015/4885AKR1C2 1409/4885AKR1B10 1666/4885
US-20020052384-A1 Novel pyrimidine derivatives and methods of making and using these derivatives TYMP, TYMS, DPYD AKR1C3 1015/4885AKR1C2 1409/4885AKR1B10 1666/4885

“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.