SCHEMBL2214844

SCHEMBL2214844

[Li]C1C2CC3CC(C2)CC1C3

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.44
EPHX2 P34913 1/20 0.33
HSD11B1 P28845 1/20 0.32
CYP2A13 Q16696 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31

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
SCHEMBL1073033 0.69 CYP2C9 (0.44) CYP2C9EPHX2HSD11B1CYP2A13CA1
Adamantane SCHEMBL12761 0.68 CYP2C9 (0.46) CYP2C9EPHX2HSD11B1
Adamantane SCHEMBL29707714 0.68 CYP2C9 (0.46) CYP2C9EPHX2HSD11B1
Adamantane SCHEMBL1527414 0.68 CYP2C9 (0.46) CYP2C9EPHX2HSD11B1
Adamantane SCHEMBL9016497 0.68 CYP2C9 (0.46) CYP2C9EPHX2HSD11B1
SCHEMBL2189873 0.67 CYP2C9 (0.50) CYP2C9EPHX2HSD11B1CYP2A13CA1
SCHEMBL2799541 0.67 CYP2C9 (0.42) CYP2C9EPHX2HSD11B1
SCHEMBL24270380 0.65 CYP2C9 (0.40) CYP2C9EPHX2
SCHEMBL10459155 0.64 CYP2C9 (0.47) CYP2C9EPHX2HSD11B1CYP2A13CA1
Adamantane SCHEMBL21820021 0.63 CYP2C9 (0.43) CYP2C9EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1190406-C Preparation method of ortho-alkylated benzoic acid derivative MERCK PATENT GMBH (DE) 2005-02-23 CN claimed
EP-1098866-B1 METHOD FOR PRODUCING ORTHO-ALKYLATED BENZOIC ACID DERIVATIVES MERCK PATENT GMBH (DE) 2004-02-11 EP claimed
US-20030069444-A1 METHOD FOR PRODUCING ORTHO-ALKYLATED BENZOIC ACID DERIVATIVES MERCK KGAA (DE) 2003-04-10 US claimed
JP-2002521352-A 2002-07-16 JP claimed
US-20020091286-A1 Method for producing ortho-alkylated benzoic acid derivatives MERCK GMBH (DE) 2002-07-11 US claimed
US-6350904-B1 CATALYTIC CARBOXYLATION OF HALOALKYLBENZENE MERCK KGAA (DE) 2002-02-26 US claimed
CN-1310700-A Preparation method of ortho-alkylated benzoic acid derivative MERCK PATENT GMBH (DE) 2001-08-29 CN claimed
EP-1098866-A1 METHOD FOR PRODUCING ORTHO-ALKYLATED BENZOIC ACID DERIVATIVES MERCK PATENT GmbH (DE) 2001-05-16 EP claimed
WO-2000005187-A1 METHOD FOR PRODUCING ORTHO-ALKYLATED BENZOIC ACID DERIVATIVES MERCK PATENT GMBH (DE) 2000-02-03 WO claimed
WO-2024263819-A3 BORON-CONTAINING COMPOUNDS AND METHODS OF PREPARATION AND APPLICATIONS THEREOF THE TRUSTEES OF BOSTON COLLEGE (US) 2025-04-24 WO disclosed
WO-2024263819-A2 BORON-CONTAINING COMPOUNDS AND METHODS OF PREPARATION AND APPLICATIONS THEREOF THE TRUSTEES OF BOSTON COLLEGE (US) 2024-12-26 WO disclosed
WO-2024263819-A2 BORON-CONTAINING COMPOUNDS AND METHODS OF PREPARATION AND APPLICATIONS THEREOF THE TRUSTEES OF BOSTON COLLEGE (US) 2024-12-26 WO disclosed
WO-2016098016-A1 PROCESS FOR THE PREPARATION OF SGLT2 INHIBITORS DR. REDDY’S LABORATORIES LIMITED (IN) 2016-06-23 WO disclosed
US-9163046-B2 Process for producing substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2015-10-20 US disclosed
US-20020091286-A1 Method for producing ortho-alkylated benzoic acid derivatives MERCK GMBH (DE) 2002-07-11 US disclosed
WO-2002051813-A2 PROCESS FOR THE PREPARATION OF α-AMINOSUBSTITUTED CARBOXYLIC ACID AMIDES MERCK PATENT GMBH (DE) 2002-07-04 WO disclosed
US-6350904-B1 CATALYTIC CARBOXYLATION OF HALOALKYLBENZENE MERCK KGAA (DE) 2002-02-26 US disclosed
CN-1310700-A Preparation method of ortho-alkylated benzoic acid derivative MERCK PATENT GMBH (DE) 2001-08-29 CN disclosed
EP-1098866-A1 METHOD FOR PRODUCING ORTHO-ALKYLATED BENZOIC ACID DERIVATIVES MERCK PATENT GmbH (DE) 2001-05-16 EP disclosed
WO-2000005187-A1 METHOD FOR PRODUCING ORTHO-ALKYLATED BENZOIC ACID DERIVATIVES MERCK PATENT GMBH (DE) 2000-02-03 WO 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-20020091286-A1 Method for producing ortho-alkylated benzoic acid derivatives AOC2, OXER1, GABBR2 CYP2C9 316/4885EPHX2 538/4885HSD11B1 728/4885
US-20030069444-A1 METHOD FOR PRODUCING ORTHO-ALKYLATED BENZOIC ACID DERIVATIVES AOC2, OXER1, GABBR2 CYP2C9 316/4885EPHX2 538/4885HSD11B1 728/4885

“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.