SCHEMBL4329339

SCHEMBL4329339

ClCCCCOc1ccccc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 2/20 0.80
HDAC3 O15379 1/20 0.61
HDAC4 P56524 1/20 0.61
HDAC1 Q13547 1/20 0.61
HDAC7 Q8WUI4 1/20 0.61
HDAC2 Q92769 1/20 0.61
HDAC10 Q969S8 1/20 0.61
HDAC11 Q96DB2 1/20 0.61
HDAC8 Q9BY41 1/20 0.61
HDAC6 Q9UBN7 1/20 0.61
HDAC9 Q9UKV0 1/20 0.61
HDAC5 Q9UQL6 1/20 0.61
TAAR1 Q96RJ0 1/20 0.56
ALDH1A1 P00352 1/20 0.56
RECQL P46063 1/20 0.56
DRD2 P14416 2/20 0.56
DRD4 P21917 2/20 0.56
DRD3 P35462 2/20 0.56
LTA4H P09960 2/20 0.55
HTR1B P28222 2/20 0.54

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
SCHEMBL7391903 0.98 KCNA3 (0.76) KCNA3HDAC3HDAC4HDAC1HDAC7
SCHEMBL8767116 0.98 KCNA3 (0.76) KCNA3HDAC3HDAC4HDAC1HDAC7
SCHEMBL20530581 0.98 KCNA3 (0.76) KCNA3HDAC3HDAC4HDAC1HDAC7
SCHEMBL1544950 0.92 KCNA3 (0.75) KCNA3HDAC3HDAC4HDAC1HDAC7
SCHEMBL7589672 0.89 LTA4H (0.67) KCNA3HDAC3HDAC4HDAC1HDAC7
SCHEMBL1490164 0.89 KCNA3 (1.00) KCNA3HDAC3HDAC4HDAC1HDAC7
SCHEMBL9786536 0.88 KCNA3 (0.68) KCNA3HDAC3HDAC4HDAC1HDAC7
SCHEMBL9826063 0.88 DRD2 (0.71) KCNA3DRD2DRD4DRD3LTA4H
SCHEMBL43271 0.87 KCNA3 (0.67) KCNA3HDAC3HDAC4HDAC1HDAC7
SCHEMBL2512157 0.87 KCNA3 (0.94) KCNA3HDAC3HDAC4HDAC1HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108368194-B Method for producing (meth) acryloyl group-terminated polyisobutylene polymer 株式会社钟化 2021-03-19 CN disclosed
US-10604598-B2 Method of producing (meth)acryloyl-terminated polyisobutylene polymer KANEKA CORPORATION (JP) 2020-03-31 US disclosed
US-20180362676-A1 METHOD OF PRODUCING (METH)ACRYLOYL-TERMINATED POLYISOBUTYLENE POLYMER KANEKA CORPORATION (JP) 2018-12-20 US disclosed
EP-3388454-A1 METHOD OF PRODUCING (METH)ACRYLOYL-TERMINATED POLYISOBUTYLENE POLYMER Kaneka Corporation (JP) 2018-10-17 EP disclosed
US-7638535-B2 (3S)-trans)-8-methyl-3,4-dihydro-2H-benzo[b][1,4]dioxepine-6-carboxylic acid [3-hydroxy-1-(3-methoxy-propyl)-piperidin-4-ylmethyl]-amide; hypermotility, irritable bowel syndrome, constipation or diarrhea predominant IDS, pain and non-pain predominant IBS and bowel hypersensitivity JANSSEN PHARMACEUTICA N.V. (BE) 2009-12-29 US disclosed
US-7635706-B2 1-butyl-3-hydroxy4-piperidinyl)methyl 8-amino-7-chloro-2,3-dihydro-1,4-benzodioxin-5-carboxylate and chemical intermediates; treating hypermotility, irritable bowel syndrome (IBS) constipation or diarrhea predominant IBS, pain and non-pain predominant IBS and bowel hypersensitivity JANSSEN PHARMACEUTICA NV (BE) 2009-12-22 US disclosed
US-20090054457-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS ELZEIN ELFATIH 2009-02-26 US disclosed
US-20090054457-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS ELZEIN ELFATIH 2009-02-26 US disclosed
US-20090054457-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS ELZEIN ELFATIH 2009-02-26 US disclosed
US-7452889-B2 Substituted heterocyclic compounds CV THERAPEUTICS, INC. (US) 2008-11-18 US disclosed
EP-0817787-A1 NITROGENOUS MACROCYCLIC COMPOUNDS ISIS PHARMACEUTICALS, INC. (US) 1998-01-14 EP disclosed
EP-0638064-B1 SUBSTITUTED 1,1,2-TRIPHENYLBUTENES AND THEIR USE IN THE TREATMENT AND DIAGNOSIS OF CANCER BRITISH TECH GROUP (GB) 1997-08-13 EP disclosed
US-5589500-A TREATMENT OF TUMORS OR ANTICARCINOGENIC AGENTS BRITISH TECHNOLOGY GROUP LIMITED (GB) 1996-12-31 US disclosed
WO-1996030377-A1 NITROGENOUS MACROCYCLIC COMPOUNDS ISIS PHARMACEUTICALS, INC. (US) 1996-10-03 WO disclosed
EP-0638064-A1 SUBSTITUTED 1,1,2-TRIPHENYLBUTENES AND THEIR USE IN THE TREATMENT AND DIAGNOSIS OF CANCER. BRITISH TECH GROUP (GB) 1995-02-15 EP disclosed
WO-1993022275-A1 SUBSTITUTED 1,1,2-TRIPHENYLBUTENES AND THEIR USE IN THE TREATMENT AND DIAGNOSIS OF CANCER BRITISH TECHNOLOGY GROUP LTD (GB) 1993-11-11 WO disclosed
US-4981619-A CARBONYLATION, REDUCTION, FROM HALIDES RHONE POULENC SPECIALITIES CHIMIQUES (FR) 1991-01-01 US disclosed
EP-0214793-B1 (2-CYANO-2-ARYLETHYL)PYRIDINES, THEIR PREPARATION AND USE AS FUNGICIDES ROHM AND HAAS COMPANY (US) 1990-06-13 EP disclosed
US-4933339-A PHYTOPATHOGENS ROHM AND HAAS COMPANY (US) 1990-06-12 US disclosed
US-4386091-A PSYCHOLOGICAL DISORDERS MEAD JOHNSON & COMPANY (US) 1983-05-31 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 (1 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-20090054457-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS KCNH1, SDHA, COQ8A KCNA3 39/4885HDAC3 475/4885HDAC4 1267/4885

“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.