SCHEMBL989057

SCHEMBL989057

CCC(=O)c1[c]cccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.42
MAPT P10636 3/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
CES1 P23141 3/20 0.36
CES2 O00748 2/20 0.36
GAA P10253 1/20 0.35
HPGD P15428 4/20 0.33
ALDH1A1 P00352 3/20 0.33
RAB9A P51151 2/20 0.33
HSP90AB1 P08238 1/20 0.33
NPC1 O15118 1/20 0.33
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.32
CYP3A4 P08684 2/20 0.32
LMNA P02545 2/20 0.32
HSD11B1 P28845 1/20 0.32
TSHR P16473 1/20 0.32
PTGS1 P23219 1/20 0.32
DRD3 P35462 1/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL2332592 0.84 HPGD (0.46) SMN1; SMN2MAPTL3MBTL1CES1CES2
SCHEMBL4629579 0.81 HSD17B3 (0.44) MAPTCES1CES2ALDH1A1KMT2A
SCHEMBL7666645 0.81 TDP1 (0.33) SMN1; SMN2MAPTL3MBTL1CES1CES2
SCHEMBL11257239 0.81 CES1 (0.33) SMN1; SMN2MAPTCES1CES2HPGD
SCHEMBL5544087 0.80 MEN1 (0.47) MAPTCES1CES2ALDH1A1KMT2A
SCHEMBL7516064 0.79 ALDH1A1 (0.48) SMN1; SMN2MAPTL3MBTL1CES1CES2
SCHEMBL696680 0.79 GSK3B (0.48) SMN1; SMN2MAPTCES1CES2HPGD
SCHEMBL10871986 0.79 SLC25A5 (0.39) SMN1; SMN2MAPTGAAHPGDALDH1A1
SCHEMBL9564624 0.78 MEN1 (0.50) MAPTL3MBTL1CES1CES2ALDH1A1
SCHEMBL9564618 0.78 MEN1 (0.50) MAPTL3MBTL1CES1CES2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110669058-A Tricyclic quinolone carboxylic acid and preparation method thereof 江西农业大学 2020-01-10 CN claimed
CN-105152977-B D D-pHPG derivatives and its preparation method and application 西南大学 2017-06-23 CN claimed
CN-105906591-A Synthesis method of 2-amino-gamma-butyrolactone hydrochloride 中国药科大学 2016-08-31 CN claimed
US-20140073801-A1 PYRROLIDINE DERIVATIVES AS SELECTIVE GLYCOSIDASE INHIBITORS AND USES THEREOF SUMMIT CORPORATION PLC (GB) 2014-03-13 US claimed
EP-2681190-A1 PYRROLIDINE DERIVATIVES AS SELECTIVE GLYCOSIDASE INHIBITORS AND USES THEREOF Summit Corporation Plc (GB) 2014-01-08 EP claimed
US-8273880-B2 Pyrazole compounds with inhibitory activity against ROS kinase KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2012-09-25 US claimed
WO-2012117219-A1 PYRROLIDINE DERIVATIVES AS SELECTIVE GLYCOSIDASE INHIBITORS AND USES THEREOF SUMMIT CORPORATION PLC (GB) 2012-09-07 WO claimed
US-20110015395-A1 PYRAZOLE COMPOUNDS WITH INHIBITORY ACTIVITY AGAINST ROS KINASE KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2011-01-20 US claimed
EP-0830349-B1 METHOD FOR PREPARING N, N'-DISUBSTITUED CYCLIC UREAS DU PONT PHARM CO (US) 2000-03-22 EP claimed
US-5877312-A Method for preparing alkylating agents for their use for alkylating cyclic ureas DUPONT PHARMACEUTICALS COMPANY (US) 1999-03-02 US claimed
EP-0830349-A1 METHOD FOR PREPARING N, N'-DISUBSTITUED CYCLIC UREAS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1998-03-25 EP claimed
US-5637780-A Method for preparing alkylating agents and their use for alkylating cyclic ureas THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1997-06-10 US claimed
EP-0767770-A1 METHOD FOR PREPARING ALKYLATING AGENTS AND THEIR USE FOR ALKYLATING CYCLIC UREAS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1997-04-16 EP claimed
WO-1996039393-A1 METHOD FOR PREPARING N, N'-DISUBSTITUED CYCLIC UREAS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-12-12 WO claimed
WO-1996000708-A1 METHOD FOR PREPARING ALKYLATING AGENTS AND THEIR USE FOR ALKYLATING CYCLIC UREAS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-01-11 WO claimed
US-3989691-A FROM A QUINOLINE PRINCETON UNIVERSITY (US) 1976-11-02 US claimed
CN-110669058-A Tricyclic quinolone carboxylic acid and preparation method thereof 江西农业大学 2020-01-10 CN disclosed
US-20190010306-A1 POLYAMIDE RESIN COMPOSITION INCLUDING CARBOXYLIC ACID DERIVATIVE NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2019-01-10 US disclosed
US-4433152-A ANTIINFLAMMATORY AGENT, ANTIALLERGEN OR ANTICOAGULANT NIPPON CHEMIPHAR CO., LTD. (JP) 1984-02-21 US disclosed
US-4348410-A Cyclohexane carboxylic acid derivatives NIPPON CHEMIPHAR CO., LTD. (JP) 1982-09-07 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-20110015395-A1 PYRAZOLE COMPOUNDS WITH INHIBITORY ACTIVITY AGAINST ROS KINASE ROS1, PDPK1, MAP3K19 SMN1; SMN2 4642/4885MAPT 1868/4885L3MBTL1 3566/4885
US-20140073801-A1 PYRROLIDINE DERIVATIVES AS SELECTIVE GLYCOSIDASE INHIBITORS AND USES THEREOF OGA, GAA, GBA3 SMN1; SMN2 626/4885MAPT 45/4885L3MBTL1 4045/4885

“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.