SCHEMBL110882

SCHEMBL110882

CCCCC1(OC(C)=O)CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CETP P11597 4/20 0.35
CTSL P07711 2/20 0.34
CTSB P07858 2/20 0.34
CTSK P43235 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
SCHEMBL8369532 0.98 ALDH1A1 (0.38) ALDH1A1MEN1KMT2ACETPCTSL
Acetic Acid SCHEMBL28102350 0.96 CTSL (0.38) ALDH1A1MEN1KMT2ACETPCTSL
SCHEMBL1516643 0.95 CETP (0.36) ALDH1A1MEN1KMT2ACETPCTSL
SCHEMBL29290134 0.93 ALDH1A1 (0.36) ALDH1A1MEN1KMT2ACETPCTSL
Adipic Acid SCHEMBL28052396 0.91 AKR1B1 (0.44) ALDH1A1MEN1KMT2A
SCHEMBL1415144 0.90 ALDH1A1 (0.40) ALDH1A1
SCHEMBL8978123 0.89 CETP (0.32) ALDH1A1MEN1KMT2ACETPCTSL
SCHEMBL11640875 0.87 MEN1 (0.37) MEN1KMT2ACETPCTSLCTSB
SCHEMBL28240742 0.86 MEN1 (0.33) ALDH1A1MEN1KMT2A
SCHEMBL11640879 0.85 MEN1 (0.40) ALDH1A1MEN1KMT2ACETPCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4416138-A1 NOVEL DERIVATIVES OF GLYCEROL Symrise AG (DE) 2024-08-21 EP claimed
US-12016943-B2 Antiperspirant or deodorant composition FIRMENICH SA (CH) 2024-06-25 US claimed
WO-2024051975-A1 NOVEL DERIVATIVES OF GLYCEROL SYMRISE AG (DE) 2024-03-14 WO claimed
EP-4021900-A1 2,2,6-TRIMETHYL-4,5-DIHYDRO-3H-OXEPINE AS AROMA INGREDIENT BASF SE (DE) 2022-07-06 EP claimed
WO-2021037806-A1 2,2,6-TRIMETHYL-4,5-DIHYDRO-3H-OXEPINE AS AROMA INGREDIENT BASF SE (DE) 2021-03-04 WO claimed
EP-3490389-A1 FRAGRANCE AND FLAVOR COMPOSITIONS CONTAINING ISOMERIC ALKADIENYL ESTERS Bedoukian Research, Inc. (US) 2019-06-05 EP claimed
EP-3386319-A1 FRAGRANCE AND FLAVOR COMPOSITIONS CONTAINING ISOMERIC ALKADIENALS OR ISOMERIC ALKADIENENITRILES Bedoukian Research, Inc. (US) 2018-10-17 EP claimed
WO-2018145219-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING AND TREATING ADDICTIONS BY MEANS OF AVERSIVE COUNTERCONDITIONING SERANI MOSTAZAL JORGE (CL) 2018-08-16 WO claimed
WO-2018022580-A1 FRAGRANCE AND FLAVOR COMPOSITIONS CONTAINING ISOMERIC ALKADIENYL ESTERS BEDOUKIAN RESEARCH, INC. (US) 2018-02-01 WO claimed
CN-206700842-U Liquid liquid Separation device for the production of middle-size and small-size fine chemistry industry 岳阳市中顺化工有限责任公司 2017-12-05 CN claimed
WO-1997031086-A1 FABRIC SOFTENER COMPOSITION WITH IMPROVED ENVIRONMENTAL IMPACT THE PROCTER & GAMBLE COMPANY (US) 1997-08-28 WO claimed
WO-1997031094-A1 DETERGENT COMPOSITIONS CONTAINING ENDURING PERFUME THE PROCTER & GAMBLE COMPANY (US) 1997-08-28 WO claimed
WO-1997030689-A1 PERSONAL TREATMENT COMPOSITIONS AND/OR COSMETIC COMPOSITIONS CONTAINING ENDURING PERFUME THE PROCTER & GAMBLE COMPANY (US) 1997-08-28 WO claimed
WO-1997031097-A1 FABRIC SOFTENING BAR COMPOSITIONS CONTAINING FABRIC SOFTENER AND ENDURING PERFUME THE PROCTER & GAMBLE COMPANY (US) 1997-08-28 WO claimed
WO-1996019119-A1 SILICONE COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1996-06-27 WO claimed
WO-1996019194-A1 SILICONE COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1996-06-27 WO claimed
WO-1996019561-A1 SILICONE COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1996-06-27 WO claimed
WO-1996019562-A1 SILICONE COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1996-06-27 WO claimed
EP-0697811-A1 NON-HAZARDOUS PEST CONTROL ECOSMART, INC. (US) 1996-02-28 EP claimed
WO-1994027434-A1 NON-HAZARDOUS PEST CONTROL ECOSMART, INC. (US) 1994-12-08 WO 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 (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-12016943-B2 Antiperspirant or deodorant composition LPO, SIGMAR1, DEK ALDH1A1 211/4885MEN1 4801/4885KMT2A 4331/4885

“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.