SCHEMBL8084159

SCHEMBL8084159

CC(C)C(=O)c1cccc(O)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.57
CA2 P00918 2/20 0.57
CA9 Q16790 2/20 0.57
CA1 P00915 1/20 0.57
CA6 P23280 1/20 0.57
KDM4E B2RXH2 4/20 0.57
GAA P10253 2/20 0.57
DBH P09172 1/20 0.57
RECQL P46063 1/20 0.57
PARP1 P09874 1/20 0.55
EGLN2 Q96KS0 1/20 0.52
ALDH1A1 P00352 2/20 0.50
FASN P49327 1/20 0.48
MAPT P10636 1/20 0.47
CLK1 P49759 2/20 0.47
DYRK1A Q13627 2/20 0.47
DYRK1B Q9Y463 2/20 0.47
CYP3A4 P08684 2/20 0.46
LMNA P02545 1/20 0.44
CA5A P35218 1/20 0.44

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
Hydrochloric Acid SCHEMBL2569130 0.98 CA12 (0.55) CA12CA2CA9CA1CA6
SCHEMBL7945435 0.87 GAA (0.59) KDM4EGAADBHRECQLALDH1A1
SCHEMBL2989006 0.86 CA12 (0.55) CA12CA2CA9CA1CA6
SCHEMBL459041 0.84 PARP1 (0.57) CA12CA2CA9CA1CA6
SCHEMBL25170496 0.82 CA12 (0.52) CA12CA2CA9CA1CA6
Hydrochloric Acid SCHEMBL6751733 0.82 PARP1 (0.55) CA12CA2CA9CA1CA6
SCHEMBL21505064 0.81 CA12 (0.50) CA12CA2CA9CA1CA6
Phenol SCHEMBL14718671 0.81 CES2 (0.50) CA12CA2CA9CA1CA6
SCHEMBL9696127 0.80 CA12 (0.53) CA12CA2CA9CA1CA6
SCHEMBL21056000 0.79 CA12 (0.57) CA12CA2CA9CA1CA6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230348369-A1 NAMPT MODULATORS CYTOKINETICS, INC. 2023-11-02 US disclosed
US-20230348369-A1 NAMPT MODULATORS CYTOKINETICS, INC. 2023-11-02 US disclosed
EP-2479163-B1 METHOD FOR PRODUCING CYCLOHEXYL ALKYL KETONES MITSUBISHI GAS CHEMICAL CO (JP) 2016-06-29 EP disclosed
EP-2809660-B1 MACROCYCLIC COMPOUNDS FOR MODULATING IL-17 ENSEMBLE THERAPEUTICS CORP (US) 2016-01-20 EP disclosed
US-8507727-B2 Method for producing cyclohexyl alkyl ketones MITSUBISHI GAS CHEMCIAL COMPANY, INC. (JP) 2013-08-13 US disclosed
WO-2013116682-A1 MACROCYCLIC COMPOUNDS FOR MODULATING IL-17 ENSEMBLE THERAPEUTICS CORPORATION (US) 2013-08-08 WO disclosed
EP-2479163-A1 METHOD FOR PRODUCING CYCLOHEXYL ALKYL KETONES Mitsubishi Gas Chemical Company, Inc. (JP) 2012-07-25 EP disclosed
US-20120178970-A1 METHOD FOR PRODUCING CYCLOHEXYL ALKYL KETONES MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2012-07-12 US disclosed
US-8198458-B2 Non-nucleoside reverse transcriptase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-12 US disclosed
US-8198458-B2 Non-nucleoside reverse transcriptase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-12 US disclosed
US-7737287-B2 Anomeric derivatives of monosaccharides ALCHEMIA LIMITED (AU) 2010-06-15 US disclosed
US-7517998-B2 Benzothiazole or benzothiazine derivative of dipyrido(2,3;b:2',3'-e) diazepin-6-one; viricide against human t-cell leukemia/lymphoma virus BOEHRINGER INGELHEIM INTERNATIONAL GMBH 2009-04-14 US disclosed
US-7504411-B2 2,3,6-Trisubstituted-4-pyrimidone derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-03-17 US disclosed
US-20080292587-A1 OXIMYL DIPEPTIDE HEPATITIS C PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2008-11-27 US disclosed
US-20080292587-A1 OXIMYL DIPEPTIDE HEPATITIS C PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2008-11-27 US disclosed
WO-2008134398-A1 OXIMYL DIPEPTIDE HEPATITIS C PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2008-11-06 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 (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-20230348369-A1 NAMPT MODULATORS NAMPT, NNT, NAPRT CA12 4169/4885CA2 2721/4885CA9 3496/4885
US-20080292587-A1 OXIMYL DIPEPTIDE HEPATITIS C PROTEASE INHIBITORS DPP4, PREP, PEPD CA12 434/4885CA2 1401/4885CA9 877/4885
US-20120178970-A1 METHOD FOR PRODUCING CYCLOHEXYL ALKYL KETONES HACL2, ALKBH3, HSD17B7 CA12 2250/4885CA2 369/4885CA9 1042/4885

“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.