SCHEMBL1043282

SCHEMBL1043282

CCCC=C1CCCC1=O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
HTT P42858 1/20 0.38
MAPT P10636 3/20 0.37
NPC1 O15118 1/20 0.37
HPGD P15428 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
AKR1C3 P42330 1/20 0.36
AKR1C1 Q04828 1/20 0.36
KDM4E B2RXH2 1/20 0.33
HSD17B10 Q99714 1/20 0.33
EGFR P00533 1/20 0.33
USP2 O75604 1/20 0.33
CCR6 P51684 1/20 0.33
TRPA1 O75762 1/20 0.33
TP53 P04637 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL6902803 1.00 ALDH1A1 (0.38) ALDH1A1HTTMAPTNPC1HPGD
SCHEMBL9511716 0.96 NPC1 (0.41) ALDH1A1HTTMAPTNPC1HPGD
SCHEMBL9511708 0.96 NPC1 (0.41) ALDH1A1HTTMAPTNPC1HPGD
SCHEMBL11151417 0.94 NPC1 (0.40) ALDH1A1HTTMAPTNPC1HPGD
SCHEMBL11151421 0.94 NPC1 (0.40) ALDH1A1HTTMAPTNPC1HPGD
SCHEMBL25320364 0.88 CCR6 (0.44) ALDH1A1HTTMAPTNPC1HPGD
SCHEMBL1237323 0.88 CCR6 (0.44) ALDH1A1HTTMAPTNPC1HPGD
SCHEMBL1042088 0.88 CCR6 (0.44) ALDH1A1HTTMAPTNPC1HPGD
SCHEMBL10737938 0.86 CYP1A2 (0.39) ALDH1A1HTTMAPTNPC1HPGD
SCHEMBL20608590 0.86 PRKCA (0.40) RAB9AKDM4ECCR6TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12503668-B2 Odorant compound FIRMENICH SA (CH) 2025-12-23 US disclosed
CN-118103345-A Method for producing compound comprising isomerization step of alpha, beta-unsaturated ketone 花王株式会社 2024-05-28 CN disclosed
US-20230227751-A1 ODORANT COMPOUND FIRMENICH SA (CH) 2023-07-20 US disclosed
CN-115210348-A Odorant compounds 弗门尼舍有限公司 2022-10-18 CN disclosed
EP-2269971-B1 PROCESS FOR PRODUCING A 2-ALKYL-2-CYCLOALKENE-1-ONE KAO CORP (JP) 2016-12-28 EP disclosed
CN-102503791-B Method for producing 2-alkylene grease cyclic ketone by adopting bionic catalytic system UNIV TIANJIN TECHNOLOGY 2014-01-15 CN disclosed
US-8378147-B2 Process for producing a 2-alkyl-2-cycloalkene-1-one KAO CORPORATION (JP) 2013-02-19 US disclosed
CN-101851154-B Improved method for producing 2-alkylene alicyclic ketone UNIV TIANJIN TECHNOLOGY 2013-01-16 CN disclosed
US-20110040127-A1 PROCESS FOR PRODUCING A 2-ALKYL-2-CYCLOALKEN-1-ONE KAO CORPORATION (JP) 2011-02-17 US disclosed
EP-2269971-A1 PROCESS FOR PRODUCING A 2-ALKYL-2-CYCLOALKENE-1-ONE Kao Corporation (JP) 2011-01-05 EP disclosed
CN-101851154-A Improved method for producing 2-alkylene alicyclic ketone UNIV TIANJIN TECHNOLOGY 2010-10-06 CN disclosed
CN-101654404-A Method for producing 2-alkylidene cyclopentanone TIANJIN CITY KAIAO BIOTECHNOLO 2010-02-24 CN disclosed
EP-1134210-B1 Method for producing jasmonate derivatives and intermediates thereof KAO CORP (JP) 2005-01-19 EP disclosed
US-6833481-B2 Catalytic dehydrative isomerization TAKASAGO INTERNATIONAL CORPORATION (JP) 2004-12-21 US disclosed
US-20030109755-A1 Process for producing 2-alkyl-2cyclopentenones TAKASAGO INTERNATIONAL CORPORATION 2003-06-12 US disclosed
EP-1316541-A1 Process for producing 2-alkyl-2-cyclopentenones Takasago International Corporation (JP) 2003-06-04 EP disclosed
CN-1421429-A Process for producing 2-alkyl-2-cyclopentenone TAKASAGO PERFUMERY CO LTD (JP) 2003-06-04 CN disclosed
US-6500990-B2 REACTING AN ISOMERIZATION CATALYST SYSTEM WHICH IS AROMATIC OR HETEROCYCLIC AROMATIC AMINE AND HYDROGEN HALIDE WITH A 2-ALKYLIDENE CYCLOPENTANONE TO CARRY OUT ISOMERIZATION KAO CORPORATION (JP) 2002-12-31 US disclosed
US-20010049455-A1 Method for producing jasmonate derivatives and intermediates thereof KAO CORPORATION (JP) 2001-12-06 US disclosed
EP-1134210-A1 Method for producing jasmonate derivatives and intermediates thereof KAO CORPORATION (JP) 2001-09-19 EP 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 (5 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-20230227751-A1 ODORANT COMPOUND TRPA1, ACLY, CYP3A5 ALDH1A1 220/4885HTT 4612/4885MAPT 2057/4885
US-12503668-B2 Odorant compound TRPA1, ACLY, CYP3A5 ALDH1A1 220/4885HTT 4612/4885MAPT 2057/4885
US-20010049455-A1 Method for producing jasmonate derivatives and intermediates thereof COASY, DHCR7, CYP8B1 ALDH1A1 315/4885HTT 3349/4885MAPT 4585/4885
US-20110040127-A1 PROCESS FOR PRODUCING A 2-ALKYL-2-CYCLOALKEN-1-ONE CYP1B1, GRK1, CYP2J2 ALDH1A1 361/4885HTT 3018/4885MAPT 4764/4885
US-20030109755-A1 Process for producing 2-alkyl-2cyclopentenones HSD3B2, DHPS, HSD3B1 ALDH1A1 575/4885HTT 2010/4885MAPT 4641/4885

“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.