SCHEMBL2609249

SCHEMBL2609249

COC1C[C@H](C)CC[C@H]1C(C)C

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
TRPA1 O75762 2/20 0.52
TRPM8 Q7Z2W7 2/20 0.52
EPHX1 P07099 3/20 0.47
LMNA P02545 2/20 0.46
NFE2L2 Q16236 1/20 0.45
HPGD P15428 1/20 0.43
CYP19A1 P11511 2/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
KDM4E B2RXH2 1/20 0.42
APOBEC3A P31941 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42
GAA P10253 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
P2RX4 Q99571 1/20 0.39
NTSR1 P30989 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL2954664 1.00 ALDH1A1 (0.54) ALDH1A1TRPA1TRPM8EPHX1LMNA
SCHEMBL14037202 1.00 ALDH1A1 (0.54) ALDH1A1TRPA1TRPM8EPHX1LMNA
SCHEMBL14515031 1.00 ALDH1A1 (0.54) ALDH1A1TRPA1TRPM8EPHX1LMNA
SCHEMBL13927583 1.00 ALDH1A1 (0.54) ALDH1A1TRPA1TRPM8EPHX1LMNA
SCHEMBL14515030 1.00 ALDH1A1 (0.54) ALDH1A1TRPA1TRPM8EPHX1LMNA
SCHEMBL117885 1.00 ALDH1A1 (0.54) ALDH1A1TRPA1TRPM8EPHX1LMNA
SCHEMBL3338174 1.00 ALDH1A1 (0.54) ALDH1A1TRPA1TRPM8EPHX1LMNA
SCHEMBL115394 1.00 ALDH1A1 (0.54) ALDH1A1TRPA1TRPM8EPHX1LMNA
SCHEMBL21610687 1.00 ALDH1A1 (0.54) ALDH1A1TRPA1TRPM8EPHX1LMNA
SCHEMBL13206675 1.00 ALDH1A1 (0.54) ALDH1A1TRPA1TRPM8EPHX1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3539942-A1 METHOD FOR PRODUCING MENTHONES FROM ISOPULEGOL IN THE GAS PHASE BASF SE (DE) 2019-09-18 EP disclosed
US-8362252-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-01-29 US disclosed
US-8362252-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-01-29 US disclosed
US-20120095249-A1 METHODS OF MAKING EFAVIRENS AND INTERMEDIATES THEREOF APOTEX PHARMACHEM INC. (CA) 2012-04-19 US disclosed
US-8080655-B2 Methods of making efavirenz and intermediates thereof APOTEX PHARMACHEM INC. (CA) 2011-12-20 US disclosed
US-20110015189-A1 METHODS OF MAKING EFAVIRENZ AND INTERMEDIATES THEREOF APOTEX PHARMACHEM INC. (CA) 2011-01-20 US disclosed
US-20100261705-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2010-10-14 US disclosed
US-20100261705-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2010-10-14 US disclosed
US-7777038-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-08-17 US disclosed
US-7777038-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-08-17 US disclosed
EP-1377579-B1 ACYL AND SULFONYL DERIVATIVES OF 6,9-DISUBSTITUTED 2-(TRANS-1,4-DIAMINOCYCLOHEXYL)-PURINES AND THEIR USE AS ANTIPROLIFERATIVE AGENTS AVENTIS PHARMA INC (US) 2009-03-25 EP disclosed
US-20070179173-A1 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-02 US disclosed
US-20070179173-A1 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-02 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 (4 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-20110015189-A1 METHODS OF MAKING EFAVIRENZ AND INTERMEDIATES THEREOF CYP2F1, CYP4F11, CYP4F3 ALDH1A1 290/4885TRPA1 4461/4885TRPM8 4583/4885
US-20120095249-A1 METHODS OF MAKING EFAVIRENS AND INTERMEDIATES THEREOF CYP2F1, CYP4F11, CYP4F3 ALDH1A1 223/4885TRPA1 4407/4885TRPM8 4519/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 ALDH1A1 2458/4885TRPA1 1926/4885TRPM8 2720/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 ALDH1A1 2458/4885TRPA1 1926/4885TRPM8 2720/4885

“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.