SCHEMBL4077641

SCHEMBL4077641

CCCC(=O)CCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.61
KEAP1 Q14145 1/20 0.59
TDP1 Q9NUW8 2/20 0.58
IAPP P10997 2/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
ALOX5 P09917 1/20 0.56
FFAR1 O14842 1/20 0.55
TRPA1 O75762 1/20 0.53
HPGD P15428 1/20 0.53
HDAC2 Q92769 2/20 0.52
HDAC8 Q9BY41 2/20 0.52
HDAC6 Q9UBN7 2/20 0.52
HDAC3 O15379 2/20 0.51
MAPK1 P28482 1/20 0.50
ADRA1A P35348 1/20 0.50
HDAC4 P56524 1/20 0.50
SLC6A3 Q01959 1/20 0.50
HDAC1 Q13547 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50

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
SCHEMBL9404043 0.92 ALDH1A1 (0.57) ALDH1A1KEAP1TDP1IAPPL3MBTL1
SCHEMBL497371 0.89 KEAP1 (0.73) ALDH1A1KEAP1TDP1L3MBTL1ALOX5
SCHEMBL11133636 0.88 HDAC1 (0.62) ALDH1A1KEAP1TDP1ALOX5HPGD
SCHEMBL10204017 0.88 IAPP (0.60) ALDH1A1KEAP1TDP1IAPPL3MBTL1
SCHEMBL107423 0.87 KEAP1 (0.70) ALDH1A1KEAP1TDP1L3MBTL1ALOX5
SCHEMBL712597 0.87 KEAP1 (0.70) ALDH1A1KEAP1TDP1L3MBTL1ALOX5
SCHEMBL12040752 0.86 MAPT (0.61) TDP1ALOX5HDAC2HDAC8HDAC6
SCHEMBL12040749 0.86 HPGD (0.61) ALDH1A1KEAP1TDP1IAPPL3MBTL1
SCHEMBL1874 0.85 ALDH1A1 (0.63) ALDH1A1KEAP1TDP1IAPPL3MBTL1
SCHEMBL4392253 0.85 HPGD (0.59) ALDH1A1KEAP1TDP1IAPPL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250287942-A1 FORMULATIONS FOR REPELLING BEES AND OTHER INSECTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2025-09-18 US claimed
EP-4510829-A2 FORMULATIONS FOR REPELLING BEES AND OTHER INSECTS The Regents of University of California (US) 2025-02-26 EP claimed
WO-2023205458-A2 FORMULATIONS FOR REPELLING BEES AND OTHER INSECTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-10-26 WO claimed
CN-102300550-A Perfume systems 2011-12-28 CN claimed
EP-1481961-B1 PROCESS FOR PRODUCING (R)-3-HYDROXY-3-(2-PHENYLETHYL)HEXANOIC ACID AND ITS INTERMEDIATE SUMITOMO CHEMICAL CO (JP) 2009-11-25 EP claimed
CN-100528828-C Production method of racemiation3-hydroxy-3- (2-phenylethyl) hexanoic acid C1-6 alkyl ester SUMIKA FINE CHEMICALS CO LTD (JP) 2009-08-19 CN claimed
EP-1894912-B1 Process for producing racemic 3-hydroxy-3-(2-phenylethyl) hexanoic acid ester SUMITOMO CHEMICAL CO (JP) 2009-08-05 EP claimed
EP-1894912-A1 Process for producing racemic 3-hydroxy-3-(2-phenylethyl) hexanoic acid ester Sumitomo Chemical Company, Limited (JP) 2008-03-05 EP claimed
CN-1329378-C Compounds for the treatment of retroviral infections PHARMACIA & UPJOHN CO LLC (US) 2007-08-01 CN claimed
CN-1982284-A Production method of (R) -3 hydroxy-3- (2-phenylethyl) hexanoic acid and intermediate thereof SUMIKA FINE CHEMICALS CO LTD (JP) 2007-06-20 CN claimed
WO-2004052883-A2 PROCESS FOR THE SEPARATION OF ENANTIOMERS HONEYWELL INTERNATIONAL INC. (US) 2004-06-24 WO claimed
US-20040110957-A1 Process for the synthesis of an antiviral compound HONEYWELL INTERNATIONAL, INC. (US) 2004-06-10 US claimed
US-6683207-B2 RESOLUTION USING 1-AMINO-1-PHENYLETHANE DERIVATIVE SUMIKA FINE CHEMICALS CO., LTD. (JP) 2004-01-27 US claimed
EP-1368331-A1 CONTINUOUS METHOD FOR PRODUCING DIHYDROPYRONES Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2003-12-10 EP claimed
US-20030176507-A1 Production method of (R) -3 hydroxy-3- (2-phenylethyl) hexanoic acid and intermediate thereof SUMIKA FINE CHEMICALS CO., LTD. (JP) 2003-09-18 US claimed
US-20020161037-A1 Continuous process for preparing dihydropyrones BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-10-31 US claimed
WO-2002068403-A1 CONTINUOUS METHOD FOR PRODUCING DIHYDROPYRONES BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-09-06 WO claimed
CN-1150424-A Compounds for the treatment of retroviral infections UPJOHN CO (US) 1997-05-21 CN claimed
EP-0758327-A1 PYRANONE COMPOUNDS USEFUL TO TREAT RETROVIRAL INFECTIONS PHARMACIA & UPJOHN COMPANY (US) 1997-02-19 EP claimed
WO-1995030670-A2 PYRANONE COMPOUNDS USEFUL TO TREAT RETROVIRAL INFECTIONS PHARMACIA & UPJOHN COMPANY (US) 1995-11-16 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 (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-20250287942-A1 FORMULATIONS FOR REPELLING BEES AND OTHER INSECTS ACHE, BCHE, DDT ALDH1A1 4134/4885KEAP1 421/4885TDP1 2245/4885
US-20040110957-A1 Process for the synthesis of an antiviral compound EIF2AK2, IRF3, RTF1 ALDH1A1 2288/4885KEAP1 3283/4885TDP1 1662/4885
US-20020161037-A1 Continuous process for preparing dihydropyrones CYP2F1, CYP2D6, SDHA ALDH1A1 194/4885KEAP1 778/4885TDP1 2355/4885
US-20030176507-A1 Production method of (R) -3 hydroxy-3- (2-phenylethyl) hexanoic acid and intermediate thereof HAAO, HPD, HAO2 ALDH1A1 62/4885KEAP1 2224/4885TDP1 3677/4885

“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.