SCHEMBL124554

SCHEMBL124554

CC1(C)CC(=O)C=C(C=O)C1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.61
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
MAPT P10636 3/20 0.44
HPGD P15428 2/20 0.44
LMNA P02545 3/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
NPSR1 Q6W5P4 1/20 0.40
KDM4E B2RXH2 2/20 0.39
GAA P10253 2/20 0.39
TSHR P16473 2/20 0.38
APEX1 P27695 1/20 0.38
PKM P14618 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL15367881 0.79 ALDH1A1 (0.68) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL13902572 0.78 ALDH1A1 (0.66) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL8534455 0.76 ALDH1A1 (1.00) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL125012 0.74 MEN1 (0.36) ALDH1A1MEN1KMT2A
SCHEMBL21877489 0.74 ALDH1A1 (0.60) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL22522 0.70 ALDH1A1 (0.52) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL7102666 0.70 ALDH1A1 (0.52) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL13284544 0.69 LMNA (0.54) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL20392114 0.69 NPC1 (0.66) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL271129 0.68 ALDH1A1 (0.50) ALDH1A1MEN1KMT2AMAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4715006-A2 UNSATURATED SCORCH RETARDERS Nouryon Chemicals International B.V. (NL) 2026-03-25 EP claimed
US-20260078088-A1 UNSATURATED SCORCH RETARDERS NOURYON CHEMICALS INTERNATIONAL B.V. (NL) 2026-03-19 US claimed
US-20250352444-A1 Antimicrobial mixtures SYMRISE AG (DE) 2025-11-20 US claimed
US-20250325463-A1 COMPOSITIONS (III) SYMRISE AG (DE) 2025-10-23 US claimed
EP-4525822-A1 ANTIMICROBIAL MIXTURES Symrise AG (DE) 2025-03-26 EP claimed
WO-2025030129-A2 AEROSOL SPRAY DEVICE, INSECTICIDE COMPOSITION, AND METHOD OF USE UNITED INDUSTRIES CORPORATION (US) 2025-02-06 WO claimed
EP-4472606-A1 COMPOSITIONS (III) Symrise AG (DE) 2024-12-11 EP claimed
CN-119097706-A Natural product for preventing and treating vascular calcification and application thereof 江南大学 2024-12-10 CN claimed
US-20240358611-A1 COMPOSITIONS SYMRISE AG (DE) 2024-10-31 US claimed
CN-118724718-A Preparation method of trimethylhydroquinone diester 万华化学集团股份有限公司 2024-10-01 CN claimed
EP-0691325-B1 Asymmetric hydrogenation of ketoisophorone derivatives HOFFMANN LA ROCHE (CH) 1998-04-15 EP claimed
EP-0739331-A4 METHOD OF MAKING KETOISOPHORONE VIA OXIDATION OF ISOPHORONE WITH TERT-BUTYL HYDROPEROXIDE ARISTECH CHEMICAL CORP (US) 1997-12-10 EP claimed
EP-0739331-A1 METHOD OF MAKING KETOISOPHORONE VIA OXIDATION OF ISOPHORONE WITH TERT-BUTYL HYDROPEROXIDE ARISTECH CHEMICAL CORPORATION (US) 1996-10-30 EP claimed
US-5545761-A USING OXIDATION CATALYSTS ARISTECH CHEMICAL CORPORATION (US) 1996-08-13 US claimed
US-5543559-A USING A RHODIUM CATALYST HAVING AN OPTICALLY ACTIVE PIPHOSPHINE LIGAND HOFFMAN-LA ROCHE INC. (US) 1996-08-06 US claimed
CN-1127741-A Asymmetrical hydrogenation of ketoisophorone derivatives HOFFMANN LA ROCHE (CH) 1996-07-31 CN claimed
WO-1996015094-A1 METHOD OF MAKING KETOISOPHORONE VIA OXIDATION OF ISOPHORONE WITH TERT-BUTYL HYDROPEROXIDE ARISTECH CHEMICAL CORPORATION (US) 1996-05-23 WO claimed
US-4046813-A Process for producing ketoisophorone HOFFMANN-LA ROCHE INC. (US) 1977-09-06 US claimed
US-3988205-A BY FERMENTATIVELY HYDROGENATING AND REDUCING KETOISOPHORONE HOFFMANN-LA ROCHE INC. (US) 1976-10-26 US claimed
US-3960966-A Ketoisophorone manufacture HOFFMANN-LA ROCHE INC. (US) 1976-06-01 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20240358611-A1 COMPOSITIONS AZI2, NISCH, CIP2A ALDH1A1 815/4885MEN1 2148/4885KMT2A 617/4885
US-20260078088-A1 UNSATURATED SCORCH RETARDERS SCO2, OXER1, CBR1 ALDH1A1 539/4885MEN1 4164/4885KMT2A 4328/4885
US-20250352444-A1 Antimicrobial mixtures LRBA, MGLL, TAS2R50 ALDH1A1 1462/4885MEN1 3090/4885KMT2A 4634/4885
US-20250325463-A1 COMPOSITIONS (III) NISCH, TAS1R3, TAS2R3 ALDH1A1 1377/4885MEN1 1480/4885KMT2A 2977/4885

“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.