SCHEMBL323973

SCHEMBL323973

C=CCC(=O)C1=CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 4/20 0.47
HDAC4 P56524 2/20 0.47
HDAC8 Q9BY41 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
CTSK P43235 1/20 0.42
HDAC1 Q13547 3/20 0.40
HDAC3 O15379 2/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
CCR2 P41597 1/20 0.33
GSTP1 P09211 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
ALDH1A1 P00352 2/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
ALOX15 P16050 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HSD17B10 Q99714 1/20 0.30
RAB9A P51151 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
SCHEMBL28244702 0.94 HDAC4 (0.46) HDAC2HDAC4HDAC8HDAC6CTSK
SCHEMBL3628786 0.85 HDAC4 (0.41) HDAC2HDAC4HDAC8HDAC6CTSK
SCHEMBL11112880 0.84
SCHEMBL3629657 0.82 HDAC2 (0.44) HDAC2HDAC4HDAC8HDAC6CTSK
SCHEMBL15519321 0.82 HDAC2 (0.44) HDAC2HDAC4HDAC8HDAC6CTSK
SCHEMBL11032178 0.81 HDAC2 (0.43) HDAC2HDAC4HDAC8HDAC6CTSK
SCHEMBL11057595 0.81 HDAC2 (0.43) HDAC2HDAC4HDAC8HDAC6CTSK
SCHEMBL4557487 0.80 HDAC2 (0.46) HDAC2HDAC4HDAC8HDAC6CTSK
SCHEMBL2702713 0.79 HDAC4 (0.40) HDAC2HDAC4HDAC8HDAC6CTSK
SCHEMBL19314152 0.79 HDAC2 (0.52) HDAC2HDAC4HDAC8HDAC6CTSK

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110002987-A Phenyl acrol cyclohexenone derivates and preparation method and purposes 南通大学 2019-07-12 CN 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-2373606-B1 PROCESSES FOR EPIMERIZING CYCLOHEXENYL KETONES WITH SUBSEQUENT ALDOL CONDENSATION TO PRODUCE FRAGRANCE COMPOUNDS PROCTER & GAMBLE (US) 2016-03-09 EP disclosed
US-8093432-B2 Processes for epimerizing cyclohexenyl ketones with subsequent aldol condensation to produce fragrance compounds THE PROCTER & GAMBLE COMPANY (US) 2012-01-10 US disclosed
EP-2373606-A1 PROCESSES FOR EPIMERIZING CYCLOHEXENYL KETONES WITH SUBSEQUENT ALDOL CONDENSATION TO PRODUCE FRAGRANCE COMPOUNDS The Procter & Gamble Company (US) 2011-10-12 EP disclosed
US-20110152575-A1 Processes for Epimerizing Cyclohexenyl Ketones with Subsequent Aldol Condensation to Produce Fragrance Compounds THE PROCTER & GAMBLE COMPANY 2011-06-23 US disclosed
WO-2010080504-A1 PROCESSES FOR EPIMERIZING CYCLOHEXENYL KETONES WITH SUBSEQUENT ALDOL CONDENSATION TO PRODUCE FRAGRANCE COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 2010-07-15 WO disclosed
CN-101495437-A Method for epimerising cyclohexenyl ketones and use thereof in aldol condensation processes PROCTER & GAMBLE (US) 2009-07-29 CN disclosed
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 disclosed
US-7414158-B2 Process for epimerising cyclohexenyl ketones and its application in Aldol condensation process THE PROCTER & GAMBLE COMPANY (US) 2008-08-19 US disclosed
WO-2008012758-A2 PROCESS FOR EPIMERISING CYCLOHEXENYL KETONES AND ITS APPLICATION IN ALDOL CONDENSATION PROCESS THE PROCTER & GAMBLE COMPANY (US) 2008-01-31 WO disclosed
US-20080021246-A1 Process for epimerising cyclohexenyl ketones and its application in aldol condensation process PROCTER & GAMBLE COMPANY, THE 2008-01-24 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-20080021246-A1 Process for epimerising cyclohexenyl ketones and its application in aldol condensation process ALDOA, PCK1, HPD HDAC2 2265/4885HDAC4 1465/4885HDAC8 1711/4885
US-20110152575-A1 Processes for Epimerizing Cyclohexenyl Ketones with Subsequent Aldol Condensation to Produce Fragrance Compounds AKR1C4, AKR1C1, AKR1C3 HDAC2 1090/4885HDAC4 1941/4885HDAC8 2733/4885

“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.