SCHEMBL309630

SCHEMBL309630

CC1(C)C2CCC1(C)C(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
SCHEMBL3503753 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 407 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4216955-B1 ORAL COMPOSITIONS COMPRISING ANTAGONISTS THAT INHIBIT OR BLOCK NICOTINIC ACETYLCHOLINE RECEPTORS (NACHR) AND/OR TRANSIENTRECEPTOR POTENTIAL (TRP) ION CHANNELS FOR NICOTINE BURNING RELIEF FERTIN PHARMA AS (DK) 2026-04-08 EP claimed
US-20250212873-A1 VOLATILE HDAC INHIBITORS FOR THERAPEUTIC AND PLANT APPLICATIONS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2025-07-03 US claimed
US-20250082004-A1 INHIBITION OF SENSORY IRRITATION DURING CONSUMPTION OF NON-SMOKEABLE TOBACCO PRODUCTS PHILIP MORRIS USA INC. (US) 2025-03-13 US claimed
EP-4482306-A1 VOLATILE HDAC INHIBITORS FOR THERAPEUTIC AND PLANT APPLICATIONS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2025-01-01 EP claimed
US-12161145-B2 Inhibition of sensory irritation during consumption of non-smokeable tobacco products PHILIP MORRIS USA INC. (US) 2024-12-10 US claimed
CN-113789224-B Preparation and application of Jin Maoer grass volatile oil 山东智汇达海洋生物科技有限公司 2024-03-01 CN 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
US-20230174457-A1 INSECT REPELLENT COMPOUNDS AND COMPOSITIONS, AND METHODS THEREOF UNIV IOWA STATE RES FOUND INC (US) 2023-06-08 US claimed
CN-116194106-A Oral antagonist composition for nicotine burn relief 费尔廷制药公司 2023-05-30 CN claimed
WO-2014146069-A1 INHIBITION OF CENTRAL NERVOUS SYSTEM EFFECTS FROM SMOKING AND SENSORY EFFECTS FROM SMOKING Altria Client Services Inc. (US) 2014-09-18 WO claimed
US-8609600-B2 Encapsulation of bulky fragrance molecules TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-12-17 US claimed
US-8603963-B1 Fragrance compositions containing low vapor pressure VOC solvents TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-12-10 US claimed
EP-2552245-A2 INHIBITION OF SENSORY IRRITATION DURING CONSUMPTION OF NON-SMOKEABLE TOBACCO PRODUCTS Philip Morris Products S.A. (CH) 2013-02-06 EP claimed
US-20120247492-A1 INHIBITION OF SENSORY IRRITATION DURING CONSUMPTION OF NON-SMOKEABLE TOBACCO PRODUCTS PHILIP MORRIS USA INC. (US) 2012-10-04 US claimed
WO-2011117740-A2 INHIBITION OF SENSORY IRRITATION DURING CONSUMPTION OF NON-SMOKEABLE TOBACCO PRODUCTS PHILIP MORRIS PRODUCTS S.A. (CH) 2011-09-29 WO 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
WO-2004107859-A2 NOVEL HERBAL MOSQUITO REPELLENT COMPOSITIONS IYER GANESH NATRAJAN (IN) 2004-12-16 WO claimed
US-20040223998-A1 Insect repellent IYER GANESH NATRAJAN (IN) 2004-11-11 US claimed
EP-1046082-B1 METHOD FOR DEVELOPMENT OF PHOTOPOLYMER PRINTING PLATES NUPRO TECHNOLOGIES INC (US) 2004-05-19 EP 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 (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-20040223998-A1 Insect repellent LSS, BCHE, L3MBTL4 ALDH1A1 4071/4885MAPT 926/4885MAPK1 2737/4885
US-20230174457-A1 INSECT REPELLENT COMPOUNDS AND COMPOSITIONS, AND METHODS THEREOF C5, CYP51A1, DDT ALDH1A1 2604/4885MAPT 1512/4885MAPK1 2411/4885

“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.