SCHEMBL324368

SCHEMBL324368

O=C(C1=CCCCC1)C1=CCCCC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 5/20 0.61
HDAC4 P56524 2/20 0.61
HDAC8 Q9BY41 2/20 0.61
HDAC6 Q9UBN7 2/20 0.61
HDAC1 Q13547 4/20 0.52
HDAC3 O15379 3/20 0.52
HDAC7 Q8WUI4 1/20 0.52
HDAC5 Q9UQL6 1/20 0.52
CTSK P43235 1/20 0.48
CCR2 P41597 1/20 0.40
ACMSD Q8TDX5 1/20 0.34
ALDH1A1 P00352 1/20 0.33
RAB9A P51151 1/20 0.33
GSTP1 P09211 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
KDM1A O60341 1/20 0.32
TSHR P16473 1/20 0.32
SLC6A1 P30531 1/20 0.32
SLC6A13 Q9NSD5 1/20 0.32
HCAR2 Q8TDS4 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
SCHEMBL27706784 0.97 HDAC2 (0.59) HDAC2HDAC4HDAC8HDAC6HDAC1
SCHEMBL28074385 0.97 HDAC2 (0.59) HDAC2HDAC4HDAC8HDAC6HDAC1
SCHEMBL9028437 0.97 HDAC2 (0.59) HDAC2HDAC4HDAC8HDAC6HDAC1
SCHEMBL27412319 0.97 HDAC2 (0.59) HDAC2HDAC4HDAC8HDAC6HDAC1
SCHEMBL2774579 0.92 HDAC2 (0.60) HDAC2HDAC4HDAC8HDAC6HDAC1
SCHEMBL4104945 0.84
SCHEMBL28986665 0.82 HDAC2 (0.59) HDAC2HDAC4HDAC8HDAC6HDAC1
SCHEMBL570578 0.82
SCHEMBL29035906 0.82 HDAC2 (0.59) HDAC2HDAC4HDAC8HDAC6HDAC1
SCHEMBL810175 0.81 HDAC4 (0.48) HDAC2HDAC4HDAC8HDAC6HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109875985-A A kind of mao of plain rice tree extract and its preparing the application in osteosporosis resistant medicament 中山大学 2019-06-14 CN claimed
CN-104968339-B Methods and compositions for treating neurodegenerative diseases 国鼎生物科技股份有限公司 2019-06-11 CN claimed
CN-109134462-A A kind of method of asymmetric syntheses crinum asiaticum Alkaloid 南开大学 2019-01-04 CN claimed
US-8206854-B2 Hydrogen odorization ENERSOL INC., N.A.L.P. (US) 2012-06-26 US claimed
EP-1856562-B1 STABILIZED ULTRA-VIOLET ABSORBERS ESSILOR INT (FR) 2010-11-10 EP claimed
US-20100171079-A1 HYDROGEN ODORIZATION ENERSOL, INC., N.A. L.P. (US) 2010-07-08 US claimed
WO-2009143327-A1 HYDROGEN ODORIZATION ENERSOL, INC.., N.A. L.P. (US) 2009-11-26 WO claimed
CN-101495437-A Method for epimerising cyclohexenyl ketones and use thereof in aldol condensation processes PROCTER & GAMBLE (US) 2009-07-29 CN claimed
EP-2046708-A2 PROCESS FOR EPIMERISING CYCLOHEXENYL KETONES AND ITS APPLICATION IN ALDOL CONDENSATION PROCESS The Procter and Gamble Company (US) 2009-04-15 EP claimed
US-7414158-B2 Process for epimerising cyclohexenyl ketones and its application in Aldol condensation process THE PROCTER & GAMBLE COMPANY (US) 2008-08-19 US claimed
WO-2008012758-A2 PROCESS FOR EPIMERISING CYCLOHEXENYL KETONES AND ITS APPLICATION IN ALDOL CONDENSATION PROCESS THE PROCTER & GAMBLE COMPANY (US) 2008-01-31 WO claimed
US-20080021246-A1 Process for epimerising cyclohexenyl ketones and its application in aldol condensation process PROCTER & GAMBLE COMPANY, THE 2008-01-24 US claimed
EP-1197200-B1 Hair care product KPSS KAO GMBH (DE) 2006-06-07 EP claimed
EP-1197200-A2 Hair care product GOLDWELL GmbH (DE) 2002-04-17 EP claimed
EP-0760810-A1 METHODS FOR THE SYNTHESIS OF 9-CIS RETINOIDS AND THEIR NOVEL INTERMEDIATES LIGAND PHARMACEUTICALS, INC. (US) 1997-03-12 EP claimed
WO-1995032946-A1 METHODS FOR THE SYNTHESIS OF 9-CIS RETINOIDS AND THEIR NOVEL INTERMEDIATES LIGAND PHARMACEUTICALS INCORPORATED (US) 1995-12-07 WO claimed
JP-11189660-A None JP disclosed
JP-6093578-A None JP disclosed
US-4877607-A CYCLOHEXYL AND CYCLOHEXENYL ALIPHATIC ALCOHOLS AND KETONES THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 1989-10-31 US disclosed
US-4847073-A SUNSCREEN AGENTS ICI AMERICAS INC. (US) 1989-07-11 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-20080021246-A1 Process for epimerising cyclohexenyl ketones and its application in aldol condensation process ALDOA, PCK1, HPD HDAC2 2265/4885HDAC4 1465/4885HDAC8 1711/4885

“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.