SCHEMBL2474412

SCHEMBL2474412

CCC1CCCC(C)(C)C1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
IDO1 P14902 1/20 0.32
TDO2 P48775 1/20 0.32
POLB P06746 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
SIGMAR1 Q99720 2/20 0.30
CYP1A2 P05177 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
SCHEMBL11130247 1.00 CYP2D6 (0.33) CYP2D6CTDSP1IDO1TDO2POLB
SCHEMBL19155525 0.85
Acetic Acid Methyl Ester SCHEMBL10879681 0.84 ALDH1A1 (0.33) POLBALDH1A1GAACYP1A2
SCHEMBL28346473 0.83 IDO1 (0.33) IDO1TDO2
SCHEMBL6944623 0.82 CYP1A2 (0.37) CYP2D6CTDSP1IDO1TDO2ALDH1A1
SCHEMBL20348693 0.79 IDO1 (0.32) IDO1TDO2
SCHEMBL721012 0.79 NCF1 (0.33) IDO1TDO2
SCHEMBL21426647 0.79 IDO1 (0.32) IDO1TDO2
SCHEMBL21859114 0.79 IDO1 (0.32) IDO1TDO2
SCHEMBL16874265 0.79 NCF1 (0.33) IDO1TDO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3781654-A1 DIESEL FUEL WITH IMPROVED IGNITION CHARACTERISTICS Shell Internationale Research Maatschappij B.V. (NL) 2021-02-24 EP claimed
WO-2019201630-A1 DIESEL FUEL WITH IMPROVED IGNITION CHARACTERISTICS SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2019-10-24 WO claimed
EP-1303477-A2 1-AMINO-ALKYLCYCLOHEXANES AS 5-HT3- AND NEURONAL NICOTINICRECEPTOR ANTAGONISTS MERZ + CO. GmbH & Co. (DE) 2003-04-23 EP claimed
WO-2001098253-A2 1-AMINO-ALKYLCYCLOHEXANES AS 5-HT3 AND NEURONAL NICOTINICRECEPTOR ANTAGONISTS MERZ PHARMA GMBH & CO. KGAA (DE) 2001-12-27 WO claimed
WO-2023078909-A1 CYCLIC ACETALS AND KETALS FOR THE LIGHT-INDUCED RELEASE OF ACTIVE ALDEHYDES AND KETONES FIRMENICH SA (CH) 2023-05-11 WO disclosed
EP-3999491-A1 COMPOUNDS FOR PROVIDING A LONG-LASTING FLORAL AND FRUITY ODOR Firmenich SA (CH) 2022-05-25 EP disclosed
EP-3313362-B1 MUSK COMPOSITIONS AND METHODS OF USE THEREOF TAKASAGO PERFUMERY CO LTD (JP) 2022-02-09 EP disclosed
EP-3880163-A1 USE OF 1-ETHYL-4,4-DIMETHYL-CYCLOHEXANE DERIVATIVES AS FRAGRANCES Symrise AG (DE) 2021-09-22 EP disclosed
WO-2021122997-A1 COMPOUNDS FOR PROVIDING A LONG-LASTING FLORAL AND FRUITY ODOR FIRMENICH SA (CH) 2021-06-24 WO disclosed
US-10901315-B2 Photosensitive microcapsules PROCTER & GAMBLE INTERNATIONAL OPERATIONS SA (CH) 2021-01-26 US disclosed
WO-2020098901-A1 USE OF 1-ETHYL-4,4-DIMETHYL-CYCLOHEXANE DERIVATIVES AS FRAGRANCES SYMRISE AG (DE) 2020-05-22 WO disclosed
US-20190049838-A1 Photosensitive Microcapsules ENCAPSYS, LLC 2019-02-14 US disclosed
EP-1409614-A1 CONTINUOUS PROCESS FOR OXIDATIVE DESULFURIZATION OF FOSSIL FUELS WITH ULTRASOUND AND PRODUCTS THEREOF Sulphco, Inc. (US) 2004-04-21 EP disclosed
EP-1318800-A1 1-AMINO-ALKYLCYCLOHEXANES AS TRYPANOCIDAL AGENTS MERZ + CO. GmbH & Co. (DE) 2003-06-18 EP disclosed
EP-1303477-A2 1-AMINO-ALKYLCYCLOHEXANES AS 5-HT3- AND NEURONAL NICOTINICRECEPTOR ANTAGONISTS MERZ + CO. GmbH & Co. (DE) 2003-04-23 EP disclosed
WO-2002074884-A1 CONTINUOUS PROCESS FOR OXIDATIVE DESULFURIZATION OF FOSSIL FUELS WITH ULTRASOUND AND PRODUCTS THEREOF SULPHCO, INC. (US) 2002-09-26 WO disclosed
WO-2002024186-A1 1-AMINO-ALKYLCYCLOHEXANES AS TRYPANOCIDAL AGENTS MERZ PHARMA GMBH & CO. KGAA (DE) 2002-03-28 WO disclosed
WO-2001098253-A2 1-AMINO-ALKYLCYCLOHEXANES AS 5-HT3 AND NEURONAL NICOTINICRECEPTOR ANTAGONISTS MERZ PHARMA GMBH & CO. KGAA (DE) 2001-12-27 WO disclosed
EP-0053704-B1 CYCLIC ESTERS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS PARFUMING AND FLAVOURING AGENTS; PARFUME AND FLAVOURING COMPOSITIONS CONTAINING THEM L. GIVAUDAN & CIE Société Anonyme (CH) 1984-01-04 EP disclosed
EP-0033959-A1 Unsaturated spiro-compound, its use in perfumes and aromas and process for its preparation FIRMENICH SA (CH) 1981-08-19 EP 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 (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-10901315-B2 Photosensitive microcapsules MCM3, PPOX, MCM5 CYP2D6 2473/4885CTDSP1 2358/4885IDO1 1376/4885

“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.