SCHEMBL114254

SCHEMBL114254

CC(C)COc1ccc2ccccc2c1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AGXT P21549 2/20 0.57
KDM4E B2RXH2 1/20 0.55
MAPK1 P28482 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
RAB9A P51151 4/20 0.54
NPC1 O15118 2/20 0.54
ALOX5 P09917 1/20 0.53
CYP1A2 P05177 1/20 0.52
CYP2A6 P11509 1/20 0.52
KDM1A O60341 2/20 0.51
PTPN7 P35236 1/20 0.50
RECQL P46063 1/20 0.48
MAPT P10636 2/20 0.47
POLB P06746 1/20 0.47
HPGD P15428 1/20 0.47
XBP1 P17861 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PDK2 Q15119 1/20 0.47
XDH P47989 1/20 0.47

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
SCHEMBL29519635 1.00 AGXT (0.57) AGXTKDM4EMAPK1TDP1RAB9A
SCHEMBL10025804 0.87 AGXT (0.45) AGXTKDM4EMAPK1TDP1RAB9A
SCHEMBL29550893 0.85 AGXT (0.53) AGXTKDM4EMAPK1TDP1RAB9A
SCHEMBL22849632 0.85 AGXT (0.53) AGXTKDM4EMAPK1TDP1RAB9A
SCHEMBL1435391 0.85 AGXT (0.58) AGXTKDM4EMAPK1TDP1RAB9A
SCHEMBL7973999 0.85 LMNA (0.63) AGXTKDM4EMAPK1TDP1RAB9A
SCHEMBL11831663 0.85 AGXT (0.58) AGXTKDM4EMAPK1TDP1RAB9A
SCHEMBL29670114 0.85 LMNA (0.63) AGXTKDM4EMAPK1TDP1RAB9A
SCHEMBL22838174 0.83 CYP1A2 (0.52) AGXTKDM4EMAPK1TDP1RAB9A
SCHEMBL14113223 0.83 GPBAR1 (0.58) AGXTKDM4EMAPK1TDP1RAB9A

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 1204 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
EP-4257663-A1 FOOD CONTACT SURFACE SANITIZING LIQUID The Procter & Gamble Company (US) 2023-10-11 EP claimed
EP-3884018-A1 JASMOL Symrise AG (DE) 2021-09-29 EP claimed
CN-113056547-A Jasmine alcohol 西姆莱斯有限公司 2021-06-29 CN claimed
EP-3809876-A1 PROTECTIVE AGENT FOR FOOD PRODUCTS AND THE LIKE AND FOR CURING AND/OR STORAGE ROOMS OF THE SAME PERPRIN S.R.L. (IT) 2021-04-28 EP claimed
WO-2020015880-A1 BI-PHASE DEODORIZING COSMETIC COMPOSITION BEIERSDORF AG (DE) 2020-01-23 WO claimed
WO-2019243869-A1 PROTECTIVE AGENT FOR FOOD PRODUCTS AND THE LIKE AND FOR CURING AND/OR STORAGE ROOMS OF THE SAME PERPRIN S.R.L. (IT) 2019-12-26 WO 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
EP-1894603-B1 Encapsulation of bulky fragrance molecules TAKASAGO PERFUMERY CO LTD (JP) 2014-11-19 EP claimed
WO-2011147455-A1 FLAVORING SUBSTANCE-INCLUDED COMPOUNDS SYMRISE AG (DE) 2011-12-01 WO claimed
JP-2008513896-A 2008-05-01 JP claimed
US-20080059226-A1 Methods and Systems for Preventing Diversion Of Prescription Drugs UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. 2008-03-06 US claimed
EP-1792180-A2 METHODS AND SYSTEMS FOR PREVENTING DIVERSION OF PRESCRIPTION DRUGS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2007-06-06 EP claimed
WO-2006034367-A2 METHODS AND SYSTEMS FOR PREVENTING DIVERSION OF PRESCRIPTION DRUGS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2006-03-30 WO claimed
US-20060062734-A1 Methods and systems for preventing diversion of prescription drugs UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. 2006-03-23 US claimed
US-12630781-B2 Fragrance or flavour mixture SYMRISE AG (DE) 2026-05-19 US disclosed
US-12625123-B2 Device and method for the analytical and sensory determination of the release of an active substance from a release system SYMRISE AG (DE) 2026-05-12 US disclosed
EP-1067126-A2 Tetracyclic acetals HAARMANN & REIMER GMBH (DE) 2001-01-10 EP disclosed
US-5236780-A Substrate, surface treating layer, pressure rupturing microcapsules with perfume BROTHER KOGYO KABUSHIKI KAISHA (JP) 1993-08-17 US 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-12625123-B2 Device and method for the analytical and sensory determination of the release of an active substance from a release system TAS2R7, TAS2R42, TAS2R39 AGXT 2300/4885KDM4E 4421/4885MAPK1 3015/4885
US-12630781-B2 Fragrance or flavour mixture NOTUM, FFAR2, FFAR1 AGXT 1326/4885KDM4E 2767/4885MAPK1 2912/4885

“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.