SCHEMBL114480

SCHEMBL114480

CCC(C)(O)CCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.43
TP53 P04637 1/20 0.41
CDK1 P06493 1/20 0.41
CCNB1 P14635 1/20 0.41
ALDH1A1 P00352 2/20 0.41
RIPK1 Q13546 3/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39
CASP1 P29466 1/20 0.39
HSD17B10 Q99714 1/20 0.39
FDPS P14324 1/20 0.39
TAAR1 Q96RJ0 2/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
ATM Q13315 1/20 0.39

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
Acetic Acid SCHEMBL15914114 0.93 ALDH1A1 (0.48) ALDH1A1RIPK1NPC1RAB9APOLB
SCHEMBL5009477 0.88 TDP1 (0.40) TDP1TP53CDK1CCNB1ALDH1A1
SCHEMBL27782631 0.88 POLB (0.45) POLBFDPSSLC6A2
Tetrahydrothiophene SCHEMBL9140496 0.87 NPC1 (0.36) TDP1CDK1CCNB1ALDH1A1RIPK1
SCHEMBL29165440 0.87 SLC6A2 (0.38) TDP1TP53CDK1CCNB1ALDH1A1
SCHEMBL4557580 0.86 FDPS (0.46) POLBMAPTALOX15FDPSSLC6A2
SCHEMBL11638625 0.85 SIGMAR1 (0.46) POLBMAPTFDPS
SCHEMBL11639734 0.85 SIGMAR1 (0.46) POLBMAPTFDPS
SCHEMBL26326652 0.82 SIGMAR1 (0.44) POLBHPGDFDPS
SCHEMBL11661906 0.82 TDP1 (0.41) TDP1ALDH1A1NPC1RAB9APOLB

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 1891 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4604726-A1 ENHANCED YEASTICIDAL EFFICACY OF LACTIC ACID BASED ANTIMICROBIAL HANDWASH Ecolab USA Inc. (US) 2025-08-27 EP claimed
CN-119880238-A Experimental research method for exploring influence of bolt fastening behavior in proton exchange membrane electrolytic cell on performance of proton exchange membrane electrolytic cell based on transparent visualization system 新疆大学 2025-04-25 CN claimed
CN-111051483-B Esters and ethers of 2, 4-tetramethyl cyclobutane-1, 3-diol as fragrance chemicals 巴斯夫欧洲公司 2025-01-24 CN claimed
CN-119265597-A PEMEC anode grown in situ, preparation method thereof and application of PEMEC anode in PEM hydrogen production 清华大学 2025-01-07 CN claimed
US-12187978-B2 Use of (3-acetoxy-2,2-dimethyl-propyl) acetate in combination with (3-hydroxy-2,2-dimethyl-propyl) acetate as an aroma chemical BASF SE (DE) 2025-01-07 US claimed
CN-119265598-A PEMEC electrode for constructing three-dimensional catalyst layer on ordered diffusion layer and preparation method 清华大学 2025-01-07 CN claimed
CN-119243252-A Electrolytic hydrogen production control method based on artificial intelligence algorithm 三峡科技有限责任公司 2025-01-03 CN claimed
CN-119243203-A PEMEC five-in-one electrode and preparation method thereof 清华大学 2025-01-03 CN claimed
CN-119134422-A Multi-type energy storage large-scale configuration method and system for high-proportion new energy power transmission network 上海大学 2024-12-13 CN claimed
CN-118837414-A Ex-situ membrane electrode partition testing device and method 东方电气集团东方锅炉股份有限公司 2024-10-25 CN claimed
EP-2142631-A1 METHODS FOR TREATING FABRIC IN A DRYER The Dial Company (US) 2010-01-13 EP claimed
US-7638479-B2 3-methylbenzyl-isobutyrate SYMRISE GMBH & CO. KG (DE) 2009-12-29 US claimed
WO-2009131692-A1 SUBSTRATES FOR DELIVERY OF PHYSIOLOGICALLY ACTIVE AGENTS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2009-10-29 WO claimed
US-20090131299-A1 3-Methylbenzyl-Isobutyrate SYMRISE GMBH & CO. KG (DE) 2009-05-21 US claimed
WO-2008134212-A1 METHODS FOR TREATING FABRIC IN A DRYER THE DIAL COMPANY (US) 2008-11-06 WO claimed
US-6844302-B1 Encapsulated flavor and fragrance INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2005-01-18 US claimed
EP-1056739-B1 NOVEL CYCLIC PRO-PERFUMES HAVING MODIFIABLE FRAGRANCE RAW MATERIAL ALCOHOL RELEASE RATE PROCTER & GAMBLE (US) 2003-05-02 EP claimed
US-6500797-B1 Process for preparing β-ketoester fragrance pro-accords from 1,3-dioxan-4,6-diones THE PROCTER & GAMBLE COMPANY 2002-12-31 US claimed
US-5492934-A ADMINISTERING 3-METHYL-5-PHENYL-3-PENTANOL HIRSCH ALAN R (US) 1996-02-20 US claimed
US-4070374-A Process for the preparation of aryl substituted aldehydes, ketones and alcohols GIVAUDAN CORPORATION (US) 1978-01-24 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 (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-20090131299-A1 3-Methylbenzyl-Isobutyrate ABAT, GABRB3, GABBR1 TDP1 2794/4885TP53 4550/4885CDK1 4862/4885

“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.