SCHEMBL13430523

SCHEMBL13430523

CC(=O)C(=O)O[C@H]1C[C@H](C)CC[C@H]1C(C)C

nearest known ligand 0.73

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.57
ALDH1A1 P00352 9/20 0.52
HPGD P15428 2/20 0.52
CYP19A1 P11511 2/20 0.51
TRPA1 O75762 2/20 0.46
TRPM8 Q7Z2W7 2/20 0.46
TSHR P16473 2/20 0.44
MAPT P10636 2/20 0.44
LMNA P02545 2/20 0.44
USP2 O75604 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL4637145 1.00 EPHX1 (0.57) EPHX1ALDH1A1HPGDCYP19A1TRPA1
SCHEMBL6387314 0.91 EPHX1 (0.61) EPHX1ALDH1A1HPGDCYP19A1TRPA1
SCHEMBL16194851 0.91 EPHX1 (0.61) EPHX1ALDH1A1HPGDCYP19A1TRPA1
SCHEMBL1335321 0.88 EPHX1 (0.52) EPHX1ALDH1A1HPGDCYP19A1TRPA1
SCHEMBL14559200 0.87 EPHX1 (0.55) EPHX1ALDH1A1HPGDCYP19A1TRPA1
SCHEMBL1320016 0.87 EPHX1 (0.55) EPHX1ALDH1A1HPGDCYP19A1TRPA1
SCHEMBL19900165 0.87 EPHX1 (0.55) EPHX1ALDH1A1HPGDCYP19A1TRPA1
SCHEMBL7927510 0.87 EPHX1 (0.55) EPHX1ALDH1A1HPGDCYP19A1TRPA1
SCHEMBL5354058 0.87 EPHX1 (0.55) EPHX1ALDH1A1HPGDCYP19A1TRPA1
SCHEMBL15305973 0.87 EPHX1 (0.57) EPHX1ALDH1A1HPGDCYP19A1TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140186272-A1 SYNTHESIS OF CYCLOHEXANE DERIVATIVES USEFUL AS SENSATES IN CONSUMER PRODUCTS THE PROCTER & GAMBLE COMPANY (US) 2014-07-03 US disclosed
US-20140186272-A1 SYNTHESIS OF CYCLOHEXANE DERIVATIVES USEFUL AS SENSATES IN CONSUMER PRODUCTS THE PROCTER & GAMBLE COMPANY (US) 2014-07-03 US disclosed
US-8754259-B2 Synthesis of cyclohexane derivatives useful as sensates in consumer products THE PROCTER & GAMBLE COMPANY (US) 2014-06-17 US disclosed
US-8754259-B2 Synthesis of cyclohexane derivatives useful as sensates in consumer products THE PROCTER & GAMBLE COMPANY (US) 2014-06-17 US disclosed
US-20130216486-A1 SYNTHESIS OF CYCLOHEXANE DERIVATIVES USEFUL AS SENSATES IN CONSUMER PRODUCTS THE PROCTER & GAMBLE COMPANY (US) 2013-08-22 US disclosed
US-20130216486-A1 SYNTHESIS OF CYCLOHEXANE DERIVATIVES USEFUL AS SENSATES IN CONSUMER PRODUCTS THE PROCTER & GAMBLE COMPANY (US) 2013-08-22 US disclosed
US-8426643-B2 Synthesis of cyclohexane derivatives useful as sensates in consumer products THE PROCTER & GAMBLE COMPANY (US) 2013-04-23 US disclosed
US-8426643-B2 Synthesis of cyclohexane derivatives useful as sensates in consumer products THE PROCTER & GAMBLE COMPANY (US) 2013-04-23 US disclosed
US-20100076080-A1 Synthesis of Cyclohexane Derivatives Useful as Sensates in Consumer Products THE PROCTER & GAMBLE COMPANY 2010-03-25 US disclosed
US-20100076080-A1 Synthesis of Cyclohexane Derivatives Useful as Sensates in Consumer Products THE PROCTER & GAMBLE COMPANY 2010-03-25 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-20140186272-A1 SYNTHESIS OF CYCLOHEXANE DERIVATIVES USEFUL AS SENSATES IN CONSUMER PRODUCTS NISCH, TRPM4, TRPM8 EPHX1 528/4885ALDH1A1 545/4885HPGD 778/4885
US-20100076080-A1 Synthesis of Cyclohexane Derivatives Useful as Sensates in Consumer Products NISCH, TRPM4, TRPM8 EPHX1 528/4885ALDH1A1 545/4885HPGD 778/4885
US-20130216486-A1 SYNTHESIS OF CYCLOHEXANE DERIVATIVES USEFUL AS SENSATES IN CONSUMER PRODUCTS NISCH, TRPM4, TRPM8 EPHX1 528/4885ALDH1A1 545/4885HPGD 778/4885

“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.