SCHEMBL2532344

SCHEMBL2532344

Cc1cc(C)c(-c2ccccc2C(C)C)c(O)c1-c1ccccc1C(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.47
GABRB1 P18505 3/20 0.47
LMNA P02545 3/20 0.47
CA1 P00915 3/20 0.47
CA2 P00918 3/20 0.47
GABRB2 P47870 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
HIF1A Q16665 2/20 0.47
SLC6A2 P23975 2/20 0.47
HTR2B P41595 2/20 0.47
FAAH O00519 1/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
GABRG2 P18507 1/20 0.47
PTGS1 P23219 1/20 0.47
HTR2C P28335 1/20 0.47
GABRB3 P28472 1/20 0.47
GABRA5 P31644 1/20 0.47
GABRA3 P34903 1/20 0.47

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
SCHEMBL27843091 0.81 LMNA (0.50) GABRA1GABRB1LMNACA1CA2
SCHEMBL2530469 0.78 ALDH1A1 (0.50) GABRA1LMNAGABRB2CYP1A2CYP3A4
SCHEMBL3236809 0.76 DHFR (0.36) GABRA1LMNACA1CA2GABRB2
SCHEMBL9743581 0.76 GABRA1 (0.52) GABRA1GABRB1LMNACA1CA2
SCHEMBL3683159 0.76 GABRA1 (0.48) GABRA1GABRB1LMNACA1CA2
SCHEMBL27727127 0.75 GABRA1 (0.47) GABRA1GABRB1LMNACA1CA2
SCHEMBL9743764 0.75 GABRA1 (0.61) GABRA1GABRB1LMNACA1CA2
SCHEMBL23198665 0.74 GABRA1 (0.62) GABRA1GABRB1LMNACA1CA2
SCHEMBL30336636 0.74 GABRA1 (0.62) GABRA1GABRB1LMNACA1CA2
SCHEMBL10457926 0.73 DHFR (0.44) GABRA1GABRB1LMNACA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150329452-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE ISOPULEGOL AND OPTICALLY ACTIVE MENTHOL TAKASAGO INTERNATIONAL CORPORATION (JP) 2015-11-19 US disclosed
EP-2921228-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE ISOPULEGOL AND OPTICALLY ACTIVE MENTHOL Takasago International Corporation (JP) 2015-09-23 EP disclosed
US-9061959-B2 Method for manufacturing optically active menthol TAKASAGO INTERNATIONAL CORPORATION (JP) 2015-06-23 US disclosed
EP-2647616-A1 METHOD FOR MANUFACTURING OPTICALLY ACTIVE MENTHOL Takasago International Corporation (JP) 2013-10-09 EP disclosed
US-20130253228-A1 METHOD FOR MANUFACTURING OPTICALLY ACTIVE MENTHOL TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-09-26 US disclosed
US-8329931-B2 Organoaluminum compound TAKASAGO INTERNATIONAL CORPORATION (JP) 2012-12-11 US disclosed
US-20110295031-A1 ORGANOALUMINUM COMPOUND TAKASAGO INTERNATIONAL CORPORATION (JP) 2011-12-01 US disclosed
EP-2390001-A1 Organoaluminium compounds and their use as catalysts in the selective cyclisation of citronellal to isopulegol Takasago International Corporation (JP) 2011-11-30 EP disclosed
US-20110256013-A1 METHOD FOR PRODUCING REGENERATED TARGET TANAKA HOLDINGS CO., LTD. (JP) 2011-10-20 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 (3 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-20150329452-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE ISOPULEGOL AND OPTICALLY ACTIVE MENTHOL ACSL3, ACSL6, ALOX5 GABRA1 2593/4885GABRB1 3042/4885LMNA 1516/4885
US-20110295031-A1 ORGANOALUMINUM COMPOUND CDC5L, ACSL3, MSMO1 GABRA1 2612/4885GABRB1 2185/4885LMNA 1737/4885
US-20130253228-A1 METHOD FOR MANUFACTURING OPTICALLY ACTIVE MENTHOL MSMO1, GGPS1, MAN1B1 GABRA1 1977/4885GABRB1 2210/4885LMNA 1748/4885

“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.