SCHEMBL175395

SCHEMBL175395

CCC1CCCCCCC(=O)O1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.44
CA1 P00915 3/20 0.39
CA9 Q16790 2/20 0.39
KMT2A Q03164 1/20 0.38
CYP2C19 P33261 2/20 0.36
CYP2D6 P10635 1/20 0.36
ALPG P10696 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34
HPGD P15428 2/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.32
GLA P06280 1/20 0.32
PARP1 P09874 1/20 0.31
SHBG P04278 1/20 0.31
ADH1C P00326 1/20 0.31
ADH1A P07327 1/20 0.31
PPARG P37231 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL15657625 1.00 CYP1A2 (0.44) CYP1A2CA1CA9KMT2ACYP2C19
SCHEMBL15658072 1.00 CYP1A2 (0.44) CYP1A2CA1CA9KMT2ACYP2C19
SCHEMBL7460313 1.00 CYP1A2 (0.44) CYP1A2CA1CA9KMT2ACYP2C19
SCHEMBL24730989 1.00 CYP1A2 (0.44) CYP1A2CA1CA9KMT2ACYP2C19
SCHEMBL1301562 1.00 CYP1A2 (0.44) CYP1A2CA1CA9KMT2ACYP2C19
SCHEMBL24729397 1.00 CYP1A2 (0.44) CYP1A2CA1CA9KMT2ACYP2C19
SCHEMBL3823582 1.00 CYP1A2 (0.44) CYP1A2CA1CA9KMT2ACYP2C19
SCHEMBL15657038 1.00 CYP1A2 (0.44) CYP1A2CA1CA9KMT2ACYP2C19
SCHEMBL6839262 1.00 CYP1A2 (0.44) CYP1A2CA1CA9KMT2ACYP2C19
SCHEMBL15660813 1.00 CYP1A2 (0.44) CYP1A2CA1CA9KMT2ACYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024092174-A1 STIMULI-RESPONSIVE MEDICAL ADHESIVE COMPOSITIONS, ARTICLES, AND METHODS NUCEPTIVE LABS, INC. (US) 2024-05-02 WO claimed
WO-2024092168-A1 ENHANCED SENSATION CONDOM NUCEPTIVE LABS, INC. (US) 2024-05-02 WO claimed
CN-113123171-A Preparation method of milk-flavor cigarette paper 河南中烟工业有限责任公司 2021-07-16 CN claimed
US-12595496-B2 Enzymatic biosynthesis of lactones GENOMATICA, INC. (US) 2026-04-07 US disclosed
US-20240237696-A1 TOBACCO SHEET FOR NON-COMBUSTION HEATING-TYPE FLAVOR INHALER, NON-COMBUSTION HEATING-TYPE FLAVOR INHALER, AND NON-COMBUSTION HEATING-TYPE FLAVOR INHALATION SYSTEM JAPAN TOBACCO INC. (JP) 2024-07-18 US disclosed
EP-4376796-A1 TRANSPARENT AQUEOUS PERFUME COMPOSITION V. Mane Fils (FR) 2024-06-05 EP disclosed
CN-118043023-A Transparent aqueous perfume composition 威·曼父子有限公司 2024-05-14 CN disclosed
WO-2024092174-A1 STIMULI-RESPONSIVE MEDICAL ADHESIVE COMPOSITIONS, ARTICLES, AND METHODS NUCEPTIVE LABS, INC. (US) 2024-05-02 WO disclosed
WO-2024092168-A1 ENHANCED SENSATION CONDOM NUCEPTIVE LABS, INC. (US) 2024-05-02 WO disclosed
EP-3784713-B1 CORE-SHELL CAPSULES PREPARED WITH LINEAR AND CYCLIC ALIPHATIC POLYISOCYANATES SYMRISE AG (DE) 2024-02-21 EP disclosed
EP-4288480-A1 A PROCESS OF CONTINUOUSLY MANUFACTURING A POLY(HYDROXY ACID) COPOLYMER WITH TUNABLE MOLECULAR WEIGHT, STRUCTURE AND COMPOSITION Sulzer Management AG (CH) 2023-12-13 EP disclosed
US-7129067-B2 Method for producing lactone TAKASAGO INTERNATIONAL CORPORATION (JP) 2006-10-31 US disclosed
US-20050281883-A1 Compositions and systems for forming crosslinked biomaterials and associated methods of preparation and use ANGIODEVICE INTERNATIONAL GMBH (CH) 2005-12-22 US disclosed
EP-1276391-A4 ETHYL 4-(THIOACETOXY)BUTYRATE AS A FLAVORING AGENT AND METHODS FOR PREPARING AND USING SAME BUSH BOAKE ALLEN INC (US) 2005-11-09 EP disclosed
US-20050130278-A1 Processes for producing lactone TAKASAGO INTERNATIONAL CORPORATION (JP) 2005-06-16 US disclosed
US-6899911-B2 Ethyl 4-(thioacetoxy)butyrate as a flavoring agent and methods for preparing and using same INTERNATIONAL FLAVORS & FRAGRANCES, INC. 2005-05-31 US disclosed
CN-1184186-C Technology of preparing caproleic acid SHANGHAI DOMESTIC CHEMICALS GR (CN) 2005-01-12 CN disclosed
EP-1276391-A1 ETHYL 4-(THIOACETOXY)BUTYRATE AS A FLAVORING AGENT AND METHODS FOR PREPARING AND USING SAME Bush Boake Allen Inc. (US) 2003-01-22 EP disclosed
US-20020090435-A1 Ethyl 4-(thioacetoxy)butyrate as a flavoring agent and methods for preparing and using same BUSH BOAKE ALLEN INC. 2002-07-11 US disclosed
WO-2001076389-A1 ETHYL 4-(THIOACETOXY)BUTYRATE AS A FLAVORING AGENT AND METHODS FOR PREPARING AND USING SAME BUSH BOAKE ALLEN INC. (US) 2001-10-18 WO 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 (2 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-12595496-B2 Enzymatic biosynthesis of lactones COASY, ACADM, FADS2 CYP1A2 823/4885CA1 2434/4885CA9 724/4885
US-20050281883-A1 Compositions and systems for forming crosslinked biomaterials and associated methods of preparation and use ILK, FN1, MMP1 CYP1A2 3924/4885CA1 1009/4885CA9 1590/4885

“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.