SCHEMBL585998

SCHEMBL585998

Cc1cccc(C(=O)C(C)C)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.59
SLC6A2 P23975 2/20 0.58
SLC6A3 Q01959 2/20 0.58
CHRNA1 P02708 1/20 0.58
CHRNG P07510 1/20 0.58
CHRNB1 P11230 1/20 0.58
CHRNB2 P17787 1/20 0.58
CHRNB4 P30926 1/20 0.58
CHRNA3 P32297 1/20 0.58
CHRNA4 P43681 1/20 0.58
CHRND Q07001 1/20 0.58
HDAC8 Q9BY41 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
KDM4E B2RXH2 1/20 0.52
DBH P09172 1/20 0.52
GAA P10253 1/20 0.52
RECQL P46063 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
TAS1R3 Q7RTX0 1/20 0.51
TAS1R1 Q7RTX1 1/20 0.51

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
SCHEMBL29923066 1.00 PARP1 (0.59) PARP1SLC6A2SLC6A3CHRNA1CHRNG
SCHEMBL7945435 0.87 GAA (0.59) SLC6A2SLC6A3CHRNA1CHRNGCHRNB1
SCHEMBL18068936 0.86 SLC6A2 (0.57) PARP1SLC6A2SLC6A3CHRNA1CHRNG
SCHEMBL15007483 0.86 SLC6A2 (0.57) PARP1SLC6A2SLC6A3CHRNA1CHRNG
SCHEMBL1305879 0.86 SLC6A2 (0.57) PARP1SLC6A2SLC6A3CHRNA1CHRNG
SCHEMBL31070147 0.84 SLC6A2 (0.55) PARP1SLC6A2SLC6A3CHRNA1CHRNG
SCHEMBL28658996 0.84 SLC6A2 (0.55) PARP1SLC6A2SLC6A3CHRNA1CHRNG
SCHEMBL9040297 0.84 PARP1 (0.60) PARP1SLC6A2SLC6A3CHRNA1CHRNG
SCHEMBL1024046 0.84 SLC6A2 (0.55) PARP1SLC6A2SLC6A3CHRNA1CHRNG
SCHEMBL634070 0.84 SLC6A2 (0.55) PARP1SLC6A2SLC6A3CHRNA1CHRNG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009131692-A1 SUBSTRATES FOR DELIVERY OF PHYSIOLOGICALLY ACTIVE AGENTS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2009-10-29 WO claimed
US-20240334931-A1 NEMATICIDAL COMPOSITION ISHIHARA SANGYO KAISHA, LTD. (JP) 2024-10-10 US disclosed
EP-4368023-A1 NEMATOCIDAL COMPOSITION Ishihara Sangyo Kaisha, Ltd. (JP) 2024-05-15 EP disclosed
CN-117479838-A Nematicidal composition 石原产业株式会社 2024-01-30 CN disclosed
US-20230348369-A1 NAMPT MODULATORS CYTOKINETICS, INC. 2023-11-02 US disclosed
US-20230348369-A1 NAMPT MODULATORS CYTOKINETICS, INC. 2023-11-02 US disclosed
US-20230160001-A1 NUCLEOTIDE CLEAVABLE LINKERS WITH RIGID SPACERS AND USES THEREOF FIRST-CITIZENS BANK & TRUST COMPANY 2023-05-25 US disclosed
US-20230130025-A1 PHOTORESIST COMPOSITIONS AND METHODS FOR FABRICATING SEMICONDUCTOR DEVICE USING THE SAME SAMSUNG SDI CO., LTD. (KR) 2023-04-27 US disclosed
US-20230130025-A1 PHOTORESIST COMPOSITIONS AND METHODS FOR FABRICATING SEMICONDUCTOR DEVICE USING THE SAME SAMSUNG SDI CO., LTD. (KR) 2023-04-27 US disclosed
CN-115768493-A Devices and compositions for improved scent delivery 宝洁公司 2023-03-07 CN disclosed
US-7473783-B2 Bicyclic pyrazolo protein kinase modulators SGX PHARMACEUTICALS, INC. (US) 2009-01-06 US disclosed
US-20080249107-A1 Non-Glycosylated/Non-Glycosidic/Non-Peptidic Small Molecule Psgl-1 Mimetics for the Treatment of Inflammatory Disorders REVOTAR BIOPHARMACEUTICALS AG (DE) 2008-10-09 US disclosed
WO-2008101682-A2 IMINIPYRIDINE DERIVATIVES AND THEIR USES AS MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2008-08-28 WO disclosed
US-20080207639-A1 Novel Aromatic Compounds and Their Use in Medical Applications REVOTAR BIOPHARMACEUTICALS AG (DE) 2008-08-28 US disclosed
US-20080188522-A1 Method for producing salts of tolperisone SANOCHEMIA PHARMAZEUTIKA AG (AT) 2008-08-07 US disclosed
US-7276484-B2 Dipeptide inhibitors of β-secretase ELAN PHARMACEUTICALS, INC. (US) 2007-10-02 US disclosed
US-7276484-B2 Dipeptide inhibitors of β-secretase ELAN PHARMACEUTICALS, INC. (US) 2007-10-02 US disclosed
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma PHARMACIA CORPORATION 2007-04-05 US disclosed
US-7169760-B2 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2007-01-30 US disclosed
US-4116665-A Method of regulating the growth of aquatic weeds with pyridine derivatives ELI LILLY AND COMPANY (US) 1978-09-26 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 (6 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-20080188522-A1 Method for producing salts of tolperisone THOP1, DCTPP1, CYP21A2 PARP1 3060/4885SLC6A2 918/4885SLC6A3 305/4885
US-20230348369-A1 NAMPT MODULATORS NAMPT, NNT, NAPRT PARP1 2181/4885SLC6A2 81/4885SLC6A3 526/4885
US-20080207639-A1 Novel Aromatic Compounds and Their Use in Medical Applications SELP, SELL, SELE PARP1 4117/4885SLC6A2 271/4885SLC6A3 627/4885
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma MAPK1, MAPK3, MAPK4 PARP1 2087/4885SLC6A2 4874/4885SLC6A3 4749/4885
US-20080249107-A1 Non-Glycosylated/Non-Glycosidic/Non-Peptidic Small Molecule Psgl-1 Mimetics for the Treatment of Inflammatory Disorders SELP, SELPLG, SELE PARP1 3513/4885SLC6A2 2400/4885SLC6A3 880/4885
US-20240334931-A1 NEMATICIDAL COMPOSITION ACHE, UNC119, NACA PARP1 4814/4885SLC6A2 2829/4885SLC6A3 3350/4885

“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.