SCHEMBL4464355

SCHEMBL4464355

CC(=O)C1=C(C)C(C)(C)CCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.40
ALDH1A1 P00352 8/20 0.37
TDP1 Q9NUW8 2/20 0.37
HAO1 Q9UJM8 1/20 0.34
RXRA P19793 6/20 0.34
RARA P10276 6/20 0.34
RARB P10826 6/20 0.34
RARG P13631 6/20 0.34
MAPT P10636 4/20 0.34
PTGS1 P23219 4/20 0.34
CYP3A4 P08684 4/20 0.34
RXRB P28702 3/20 0.34
RXRG P48443 3/20 0.34
RORC P51449 2/20 0.34
ADORA3 P0DMS8 2/20 0.34
MAPK1 P28482 2/20 0.34
HTR2B P41595 2/20 0.34
BLM P54132 2/20 0.34
HIF1A Q16665 2/20 0.34
APP P05067 2/20 0.34

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
SCHEMBL3249788 0.85 CYP1A2 (0.41) CYP1A2ALDH1A1TDP1HAO1RXRA
SCHEMBL9959984 0.83 CYP1A2 (0.43) CYP1A2ALDH1A1HAO1RXRARARA
SCHEMBL31305881 0.77 CYP1A2 (0.36) CYP1A2ALDH1A1TDP1HAO1
SCHEMBL11563975 0.76 CYP1A2 (0.41) CYP1A2ALDH1A1TDP1HAO1RXRA
SCHEMBL11482058 0.73 CYP1A2 (0.36) CYP1A2ALDH1A1TDP1HAO1RXRA
SCHEMBL12813290 0.71 NPC1 (0.40) ALDH1A1TDP1RXRARARARARB
SCHEMBL1782075 0.71 CYP1A2 (0.47) CYP1A2ALDH1A1TDP1HAO1RXRA
SCHEMBL11493728 0.71 CYP1A2 (0.34) CYP1A2ALDH1A1TDP1HAO1RXRA
SCHEMBL10946665 0.70 GRIK1 (0.34) CYP1A2HAO1RXRAGRIK1GRIK2
SCHEMBL11498563 0.70 CYP1A2 (0.33) CYP1A2ALDH1A1TDP1HAO1RXRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (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 CYP1A2 484/4885ALDH1A1 1349/4885TDP1 3729/4885

“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.