SCHEMBL3503753

SCHEMBL3503753

CC1(C)C2CCC1(C)[C@@H](OC=O)C2

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
KMT2A Q03164 1/20 0.46
CYP2C19 P33261 1/20 0.45
LMNA P02545 1/20 0.44
ELANE P08246 2/20 0.44
CYP19A1 P11511 2/20 0.42

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
SCHEMBL25689307 1.00 ALDH1A1 (0.47) ALDH1A1MAPTMAPK1KMT2ACYP2C19
SCHEMBL25689300 1.00 ALDH1A1 (0.47) ALDH1A1MAPTMAPK1KMT2ACYP2C19
SCHEMBL27590251 1.00 ALDH1A1 (0.47) ALDH1A1MAPTMAPK1KMT2ACYP2C19
SCHEMBL27675584 1.00 ALDH1A1 (0.47) ALDH1A1MAPTMAPK1KMT2ACYP2C19
SCHEMBL14449391 1.00 ALDH1A1 (0.47) ALDH1A1MAPTMAPK1KMT2ACYP2C19
SCHEMBL309630 1.00 ALDH1A1 (0.47) ALDH1A1MAPTMAPK1KMT2ACYP2C19
SCHEMBL2126891 0.88 MAPT (0.50) ALDH1A1MAPTMAPK1KMT2ACYP2C19
SCHEMBL28249395 0.84 MAPT (0.47) ALDH1A1MAPTMAPK1KMT2ACYP2C19
Benzaldehyde SCHEMBL28051518 0.84 CYP2C19 (0.58) ALDH1A1MAPTMAPK1KMT2ACYP2C19
SCHEMBL2134324 0.83 ALDH1A1 (0.46) ALDH1A1MAPTMAPK1KMT2ACYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4482306-A1 VOLATILE HDAC INHIBITORS FOR THERAPEUTIC AND PLANT APPLICATIONS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2025-01-01 EP claimed
WO-2023192424-A1 VOLATILE HD AC INHIBITORS FOR THERAPEUTIC AND PLANT APPLICATIONS CROSS-REFERENCE TO RELATED APPLICATION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-10-05 WO claimed
EP-4216955-A1 ORAL ANTAGONIST COMPOSITIONS FOR NICOTINE BURNING RELIEF Fertin Pharma A/S (DK) 2023-08-02 EP claimed
WO-2022063372-A1 ORAL ANTAGONIST COMPOSITIONS FOR NICOTINE BURNING RELIEF FERTIN PHARMA A/S (DK) 2022-03-31 WO claimed
EP-1894603-B1 Encapsulation of bulky fragrance molecules TAKASAGO PERFUMERY CO LTD (JP) 2014-11-19 EP claimed
EP-4482306-A1 VOLATILE HDAC INHIBITORS FOR THERAPEUTIC AND PLANT APPLICATIONS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2025-01-01 EP disclosed
EP-4416125-A1 ENOL ETHER PROPERFUME Firmenich SA (CH) 2024-08-21 EP disclosed
WO-2023192424-A1 VOLATILE HD AC INHIBITORS FOR THERAPEUTIC AND PLANT APPLICATIONS CROSS-REFERENCE TO RELATED APPLICATION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-10-05 WO disclosed
EP-3416729-B1 PRO-FRAGRANCE COMPOSITION AQDOT LTD (GB) 2023-09-20 EP disclosed
WO-2023111006-A1 ENOL ETHER PROPERFUME FIRMENICH SA (CH) 2023-06-22 WO disclosed
CN-110891615-B System and method for selecting and releasing fragrance 阿甘香气及精细化学有限公司 2022-08-05 CN disclosed
CN-108601958-B Pro-fragrance compositions 爱客多有限公司 2022-06-17 CN disclosed
EP-2832441-A1 Microcapsules Takasago International Corporation (JP) 2015-02-04 EP disclosed
EP-1894603-B1 Encapsulation of bulky fragrance molecules TAKASAGO PERFUMERY CO LTD (JP) 2014-11-19 EP disclosed
US-20140221269-A1 OLFACTORY SIGNATURE AND ODORANT MIXTURE HAVING THE SAME YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2014-08-07 US disclosed
US-8609600-B2 Encapsulation of bulky fragrance molecules TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-12-17 US disclosed
EP-2620211-A2 New microcapsules Takasago International Corporation (JP) 2013-07-31 EP disclosed
US-20100248390-A1 COMPOSITIONS AND METHODS FOR IDENTIFYING LIGANDS OF ODORANT RECEPTORS DUKE UNIVERSITY (US) 2010-09-30 US disclosed
US-20080176780-A1 ENCAPSULATION OF BULKY FRAGRANCE MOLECULES TAKASAGO INTERNATIONAL CORPORATION (JP) 2008-07-24 US disclosed
EP-1894603-A1 Encapsulation of bulky fragrance molecules Takasago International Corporation (JP) 2008-03-05 EP disclosed