SCHEMBL536647

SCHEMBL536647

CC1CCC(C(C)C)C(OC(=O)OCCCCCCCO)C1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.48
CYP19A1 P11511 2/20 0.46
ALDH1A1 P00352 8/20 0.44
HPGD P15428 2/20 0.44
MAPT P10636 3/20 0.43
TSHR P16473 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KDM4E B2RXH2 2/20 0.42
GAA P10253 1/20 0.42
MAPK1 P28482 1/20 0.42
USP2 O75604 1/20 0.41
LMNA P02545 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.40
APOBEC3A P31941 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39

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
SCHEMBL537561 1.00 EPHX1 (0.48) EPHX1CYP19A1ALDH1A1HPGDMAPT
SCHEMBL4660355 0.95 EPHX1 (0.50) EPHX1CYP19A1ALDH1A1HPGDMAPT
SCHEMBL10025182 0.91 EPHX1 (0.47) EPHX1CYP19A1ALDH1A1HPGDMAPT
SCHEMBL10025184 0.91 EPHX1 (0.47) EPHX1CYP19A1ALDH1A1HPGDMAPT
SCHEMBL113398 0.91 EPHX1 (0.51) EPHX1CYP19A1ALDH1A1HPGDMAPT
SCHEMBL28260167 0.91 EPHX1 (0.51) EPHX1CYP19A1ALDH1A1HPGDMAPT
SCHEMBL19865132 0.91 EPHX1 (0.51) EPHX1CYP19A1ALDH1A1HPGDMAPT
SCHEMBL906566 0.91 EPHX1 (0.51) EPHX1CYP19A1ALDH1A1HPGDMAPT
SCHEMBL12449335 0.91 EPHX1 (0.51) EPHX1CYP19A1ALDH1A1HPGDMAPT
SCHEMBL28880174 0.89 EPHX1 (0.55) EPHX1CYP19A1ALDH1A1HPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10426752-B2 Menthol-derivative compounds and use thereof as oral and systemic active agents COLGATE-PALMOLIVE COMPANY (US) 2019-10-01 US disclosed
CN-102625866-B Menthol-derivative compounds and their use as oral and systemic active agents COLGATE-PALMOLIVE CO. (US) 2015-08-19 CN disclosed
EP-2414571-A2 MENTHOL-DERIVATIVE COMPOUNDS AND USE THEREOF AS ORAL AND SYSTEMIC ACTIVE AGENTS Colgate-Palmolive Company (US) 2012-02-08 EP disclosed
US-20120014884-A1 MENTHOL-DERIVATIVE COMPOUNDS AND USE THEREOF AS ORAL AND SYSTEMIC ACTIVE AGENTS COLGATE-PALMOLIVE COMPANY (US) 2012-01-19 US disclosed
US-20120014884-A1 MENTHOL-DERIVATIVE COMPOUNDS AND USE THEREOF AS ORAL AND SYSTEMIC ACTIVE AGENTS COLGATE-PALMOLIVE COMPANY (US) 2012-01-19 US disclosed
WO-2010120275-A2 MENTHOL-DERIVATIVE COMPOUNDS AND USE THEREOF AS ORAL AND SYSTEMIC ACTIVE AGENTS COLGATE-PALMOLIVE COMPANY (US) 2010-10-21 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-10426752-B2 Menthol-derivative compounds and use thereof as oral and systemic active agents CD14, SMAD2, ARG1 EPHX1 735/4885CYP19A1 1173/4885ALDH1A1 1133/4885
US-20120014884-A1 MENTHOL-DERIVATIVE COMPOUNDS AND USE THEREOF AS ORAL AND SYSTEMIC ACTIVE AGENTS CD14, SMAD2, ARG1 EPHX1 735/4885CYP19A1 1173/4885ALDH1A1 1133/4885

“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.