SCHEMBL2530469

SCHEMBL2530469

Cc1ccccc1-c1c(C)cc(C)c(-c2ccccc2C)c1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
ELANE P08246 2/20 0.46
TRPA1 O75762 1/20 0.44
HPGD P15428 4/20 0.41
KDM4E B2RXH2 2/20 0.41
HSD17B10 Q99714 2/20 0.41
TP53 P04637 1/20 0.41
GAA P10253 1/20 0.41
MCL1 Q07820 1/20 0.41
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
MAPT P10636 2/20 0.40
NFKB1 P19838 2/20 0.40
NFKB2 Q00653 2/20 0.40
RELA Q04206 2/20 0.40
TSHR P16473 2/20 0.40
NPC1 O15118 2/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40

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
SCHEMBL26321816 0.83 ALDH1A1 (0.50) ALDH1A1ELANETRPA1HPGDKDM4E
SCHEMBL10682793 0.82 MEN1 (0.47) ALDH1A1HPGDKDM4EHSD17B10TP53
SCHEMBL9222854 0.78 TRPA1 (0.46) ALDH1A1ELANETRPA1HPGDKDM4E
SCHEMBL2534631 0.78 ALDH1A1 (0.47) ALDH1A1ELANEHPGDKDM4EHSD17B10
SCHEMBL2532344 0.78 GABRA1 (0.47) ALDH1A1ELANETRPA1HPGDTP53
SCHEMBL4265966 0.76 PDK2 (0.44) ALDH1A1ELANETRPA1HPGDKDM4E
SCHEMBL673891 0.76 ALDH1A1 (0.62) ALDH1A1ELANETRPA1HPGDKDM4E
SCHEMBL4743302 0.76 ALDH1A1 (0.42) ALDH1A1ELANETRPA1HPGDKDM4E
SCHEMBL9742287 0.76 MCL1 (0.50) ALDH1A1ELANEHPGDKDM4EHSD17B10
SCHEMBL23367880 0.74 MAP2 (0.43) ALDH1A1HPGDKDM4EHSD17B10RAB9A

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 ALDH1A1 484/4885ELANE 3707/4885TRPA1 69/4885
US-20110295031-A1 ORGANOALUMINUM COMPOUND CDC5L, ACSL3, MSMO1 ALDH1A1 1124/4885ELANE 3077/4885TRPA1 73/4885
US-20130253228-A1 METHOD FOR MANUFACTURING OPTICALLY ACTIVE MENTHOL MSMO1, GGPS1, MAN1B1 ALDH1A1 79/4885ELANE 2246/4885TRPA1 267/4885

“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.