SCHEMBL4883443

SCHEMBL4883443

CC(C)C(=O)C1=CCCC1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 3/20 0.50
HDAC4 P56524 2/20 0.50
HDAC8 Q9BY41 2/20 0.50
HDAC6 Q9UBN7 2/20 0.50
HDAC3 O15379 2/20 0.50
HDAC1 Q13547 2/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50
CTSK P43235 1/20 0.40
LMNA P02545 1/20 0.38
FFAR1 O14842 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
KDM4E B2RXH2 1/20 0.31
DBH P09172 1/20 0.31
GAA P10253 1/20 0.31
RECQL P46063 1/20 0.31
CCR2 P41597 1/20 0.30
GSTP1 P09211 1/20 0.30
HIF1A Q16665 1/20 0.30

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
SCHEMBL4212578 0.94 HDAC2 (0.52) HDAC2HDAC4HDAC8HDAC6HDAC3
SCHEMBL15468834 0.84
SCHEMBL22639538 0.80 HDAC4 (0.44) HDAC2HDAC4HDAC8HDAC6HDAC3
SCHEMBL19743540 0.79 FFAR1 (0.31) HDAC2HDAC4HDAC8HDAC6HDAC3
SCHEMBL19743538 0.79 FFAR1 (0.31) HDAC2HDAC4HDAC8HDAC6HDAC3
SCHEMBL19743539 0.79 FFAR1 (0.31) HDAC2HDAC4HDAC8HDAC6HDAC3
SCHEMBL14490188 0.79 HDAC2 (0.50) HDAC2HDAC4HDAC8HDAC6HDAC3
SCHEMBL24995580 0.78 HDAC3 (0.33) HDAC2HDAC4HDAC8HDAC6HDAC3
SCHEMBL28275218 0.78 HDAC4 (0.46) HDAC2HDAC4HDAC8HDAC6HDAC3
SCHEMBL16850492 0.75 HDAC2 (0.62) HDAC2HDAC4HDAC8HDAC6HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12018002-B2 Certain chemical entities, compositions, and methods NEUPHARMA, INC (US) 2024-06-25 US disclosed
US-20230212164-A1 ANNULATED 2-AMINO-3-CYANO THIOPHENES AND DERIVATIVES FOR THE TREATMENT OF CANCER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-07-06 US disclosed
US-20230203063-A1 TRICYCLIC PYRIDONES AND PYRIMIDONES ERASCA, INC. 2023-06-29 US disclosed
US-20230043970-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC 2023-02-09 US disclosed
US-20220119409-A1 TRICYCLIC PYRIDONES AND PYRIMIDONES ERASCA, INC. 2022-04-21 US disclosed
WO-2021219072-A1 PREPARATION AND APPLICATION METHOD OF HETEROCYCLIC COMPOUND AS KRAS INHIBITOR 上海科州药物研发有限公司 (CN) 2021-11-04 WO disclosed
US-20210244736-A1 Methods for Treating Cancer Using Pyrimidine and Pyridine Compounds with BTK Inhibitory Activity MERCK PATENT GMBH (DE) 2021-08-12 US disclosed
US-10919850-B2 Covalent inhibitors of KRas G12C ARAXES PHARMA LLC (US) 2021-02-16 US disclosed
US-20200316068-A1 Methods for Treating MS Using Pyrimidine and Pyridine Compounds with BTK Inhibitory Activity MERCK PATENT GMBH (DE) 2020-10-08 US disclosed
US-20200247824-A1 HETEROCYCLYL SUBSTITUTED PYRROLOPYRIDINES THAT ARE INHIBITORS OF THE CDK12 KINASE THE UNIVERSITY OF NOTTINGHAM (GB) 2020-08-06 US disclosed
US-8420145-B2 Isosorbide derivatives and their use as flavor modifiers, tastants, and taste enhancers SENOMYX, INC. (US) 2013-04-16 US disclosed
US-20090220662-A1 ISOSORBIDE DERIVATIVES AND THEIR USE AS FLAVOR MODIFIERS, TASTANTS, AND TASTE ENHANCERS SENOMYX, INC. 2009-09-03 US disclosed
US-20080214668-A1 USE OF RETINOIDS TO TREAT HIGH BLOOD PRESSURE AND OTHER CARDIOVASCULAR DISEASE OREGON HEALTH AND SCIENCES UNIVERSITY (US) 2008-09-04 US disclosed
US-20070249713-A1 Prevention of Retinopathy by Inhibition of the Visual Cycle LARSEN LARS M 2007-10-25 US disclosed
US-20070154981-A1 Insulin-producing cells derived from stem cells THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2007-07-05 US disclosed
EP-1727529-A2 PREVENTION OF RETINOPATHY BY INHIBITION OF THE VISUAL CYCLE Larsen, Lars, Michael (DK) 2006-12-06 EP disclosed
WO-2005087210-A2 PREVENTION OF RETINOPATHY BY INHIBITION OF THE VISUAL CYCLE LARSEN LARS MICHAEL (DK) 2005-09-22 WO disclosed
WO-2005045001-A2 INSULIN-PRODUCING CELLS DERIVED FROM STEM CELLS THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2005-05-19 WO disclosed
US-20030008919-A1 Use of retinoids to treat high blood pressure and other cardiovascular disease ROULLET JEAN-BAPTISTE (US) 2003-01-09 US disclosed
US-6437003-B1 STROKES ROULLET JEAN-BAPTISTE (US) 2002-08-20 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 (13 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-20230043970-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS BRAF, PIK3CA, PLK1 HDAC2 808/4885HDAC4 1128/4885HDAC8 929/4885
US-12018002-B2 Certain chemical entities, compositions, and methods BRAF, PIK3CA, PLK1 HDAC2 808/4885HDAC4 1128/4885HDAC8 929/4885
US-20230203063-A1 TRICYCLIC PYRIDONES AND PYRIMIDONES TYMS, TYMP, DHFR HDAC2 3628/4885HDAC4 2232/4885HDAC8 3409/4885
US-20220119409-A1 TRICYCLIC PYRIDONES AND PYRIMIDONES DHFR, TYMS, TYMP HDAC2 3525/4885HDAC4 2186/4885HDAC8 3353/4885
US-20200316068-A1 Methods for Treating MS Using Pyrimidine and Pyridine Compounds with BTK Inhibitory Activity BTK, LCK, SYK HDAC2 1120/4885HDAC4 1690/4885HDAC8 2040/4885
US-20030008919-A1 Use of retinoids to treat high blood pressure and other cardiovascular disease RARA, RXRA, RARB HDAC2 1544/4885HDAC4 778/4885HDAC8 832/4885
US-20070249713-A1 Prevention of Retinopathy by Inhibition of the Visual Cycle VEGFA, HIF1AN, ALDH1A2 HDAC2 1915/4885HDAC4 1379/4885HDAC8 1698/4885
US-20090220662-A1 ISOSORBIDE DERIVATIVES AND THEIR USE AS FLAVOR MODIFIERS, TASTANTS, AND TASTE ENHANCERS TAS2R10, TAS2R41, TAS2R30 HDAC2 2623/4885HDAC4 2415/4885HDAC8 3608/4885
US-20200247824-A1 HETEROCYCLYL SUBSTITUTED PYRROLOPYRIDINES THAT ARE INHIBITORS OF THE CDK12 KINASE CDK1, CDK11A, CDK12 HDAC2 908/4885HDAC4 967/4885HDAC8 970/4885
US-20230212164-A1 ANNULATED 2-AMINO-3-CYANO THIOPHENES AND DERIVATIVES FOR THE TREATMENT OF CANCER RSU1, KRAS, NRAS HDAC2 3318/4885HDAC4 4334/4885HDAC8 4593/4885
US-10919850-B2 Covalent inhibitors of KRas G12C KRAS, NRAS, HRAS HDAC2 1239/4885HDAC4 1852/4885HDAC8 1187/4885
US-20080214668-A1 USE OF RETINOIDS TO TREAT HIGH BLOOD PRESSURE AND OTHER CARDIOVASCULAR DISEASE RARA, RXRA, RARB HDAC2 1544/4885HDAC4 778/4885HDAC8 832/4885
US-20210244736-A1 Methods for Treating Cancer Using Pyrimidine and Pyridine Compounds with BTK Inhibitory Activity BTK, SYK, LCK HDAC2 950/4885HDAC4 1419/4885HDAC8 1833/4885

“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.