SCHEMBL5510182

SCHEMBL5510182

CCc1ccccc1C(=O)C(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.46
GABRB2 P47870 1/20 0.46
CLCN2 P51788 1/20 0.42
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
TSHR P16473 1/20 0.41
HSD11B1 P28845 1/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
F2R P25116 1/20 0.40
CYP2C19 P33261 1/20 0.39
HIF1A Q16665 1/20 0.39
ELANE P08246 1/20 0.39
TP53 P04637 1/20 0.38
HTT P42858 1/20 0.38
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
FOLH1 Q04609 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL19564481 0.86 HCRTR1 (0.45) ALDH1A1KDM4ETP53HTTCA12
SCHEMBL8576590 0.86 HPGD (0.47) GABRA1GABRB2ALDH1A1KDM4ETSHR
SCHEMBL8542328 0.84 ALDH1A1 (0.40) GABRA1GABRB2CLCN2ALDH1A1KDM4E
SCHEMBL12680316 0.82 ALDH1A1 (0.42) GABRA1GABRB2ALDH1A1KDM4EHSD11B1
SCHEMBL11664523 0.82 LIPG (0.49) ALDH1A1TSHRMAPK1TP53CA12
SCHEMBL15445468 0.82 ELANE (0.47) ALDH1A1KDM4ETSHRMAPK1L3MBTL1
SCHEMBL32665929 0.82 CES1 (0.47) GABRA1GABRB2CLCN2KDM4ETSHR
SCHEMBL10717585 0.82 CES1 (0.47) GABRA1GABRB2CLCN2KDM4ETSHR
SCHEMBL19564480 0.81 HCRTR2 (0.44) ALDH1A1KDM4EHSD11B1MAPK1L3MBTL1
SCHEMBL17448849 0.81 TSHR (0.41) ALDH1A1KDM4ETSHRHIF1AELANE

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4096618-A1 A MIXTURE COMPRISING 1,2-ALKANEDIOLS Symrise AG (DE) 2022-12-07 EP claimed
WO-2022122143-A1 A MIXTURE COMPRISING 1,2-ALKANEDIOLS SYMRISE AG (DE) 2022-06-16 WO claimed
US-20260047994-A1 AN ACTIVE COMPOSITION COMPRISING RETINOL SYMRISE AG (DE) 2026-02-19 US disclosed
WO-2025051340-A1 TRPM8 MODULATORS AND RELATED METHOD FOR MODULATING TRPM8 RECEPTORS SYMRISE AG (DE) 2025-03-13 WO disclosed
US-20230271998-A1 SOLID SUPPORT FOR SYNTHESIZING NUCLEIC ACID SEQUENCES AND METHODS FOR MAKING AND USING UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2023-08-31 US disclosed
US-10023555-B2 NSAIDs derivatives and uses thereof RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK (US) 2018-07-17 US disclosed
US-9745284-B2 2-pyridyloxy-4-ether orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2017-08-29 US disclosed
US-20160016935-A1 2-PYRIDYLOXY-4-ETHER OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2016-01-21 US disclosed
US-20150376162-A1 NSAIDs DERIVATIVES AND USES THEREOF RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK (US) 2015-12-31 US disclosed
US-8735398-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-27 US disclosed
US-20130085147-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-04 US disclosed
US-8362020-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-29 US disclosed
US-8211932-B2 Organic compounds and their uses NOVARTIS AG (CH) 2012-07-03 US disclosed
US-20110294819-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-12-01 US disclosed
US-20100331243-A1 ORGANIC COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2010-12-30 US disclosed
US-7226901-B2 Stable transparent perfuming emulsion FIRMENICH SA (CH) 2007-06-05 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 (8 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-20100331243-A1 ORGANIC COMPOUNDS AND THEIR USES OAT, OTC, AOX1 GABRA1 2531/4885GABRB2 1749/4885CLCN2 821/4885
US-20110294819-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, GTF3C1 GABRA1 4043/4885GABRB2 4062/4885CLCN2 3811/4885
US-20130085147-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, GTF3C1 GABRA1 4043/4885GABRB2 4062/4885CLCN2 3811/4885
US-10023555-B2 NSAIDs derivatives and uses thereof PTGES, PTGES3, PTGS1 GABRA1 2664/4885GABRB2 2629/4885CLCN2 4109/4885
US-20260047994-A1 AN ACTIVE COMPOSITION COMPRISING RETINOL RBP4, LRAT, RARB GABRA1 895/4885GABRB2 179/4885CLCN2 4682/4885
US-20150376162-A1 NSAIDs DERIVATIVES AND USES THEREOF PTGES, PTGES3, PTGS1 GABRA1 2664/4885GABRB2 2629/4885CLCN2 4109/4885
US-20160016935-A1 2-PYRIDYLOXY-4-ETHER OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY2R GABRA1 267/4885GABRB2 251/4885CLCN2 1576/4885
US-20230271998-A1 SOLID SUPPORT FOR SYNTHESIZING NUCLEIC ACID SEQUENCES AND METHODS FOR MAKING AND USING RNGTT, NSUN2, POLN GABRA1 4550/4885GABRB2 4774/4885CLCN2 4146/4885

“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.