SCHEMBL6139544

SCHEMBL6139544

C=CCOC1CC(C)CCC1C(C)C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
LMNA P02545 2/20 0.47
KDM4E B2RXH2 1/20 0.45
APOBEC3A P31941 1/20 0.45
APOBEC3G Q9HC16 1/20 0.45
GAA P10253 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
TRPM8 Q7Z2W7 3/20 0.42
TRPA1 O75762 2/20 0.42
P2RX4 Q99571 1/20 0.41
NTSR1 P30989 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
EPHX1 P07099 2/20 0.40
MAPT P10636 1/20 0.39
CYP19A1 P11511 2/20 0.39
NFE2L2 Q16236 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 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
SCHEMBL29306795 1.00 ALDH1A1 (0.56) ALDH1A1LMNAKDM4EAPOBEC3AAPOBEC3G
SCHEMBL21130372 1.00 ALDH1A1 (0.56) ALDH1A1LMNAKDM4EAPOBEC3AAPOBEC3G
SCHEMBL6355040 1.00 ALDH1A1 (0.56) ALDH1A1LMNAKDM4EAPOBEC3AAPOBEC3G
SCHEMBL6360423 1.00 ALDH1A1 (0.56) ALDH1A1LMNAKDM4EAPOBEC3AAPOBEC3G
SCHEMBL18230878 1.00 ALDH1A1 (0.56) ALDH1A1LMNAKDM4EAPOBEC3AAPOBEC3G
SCHEMBL15829156 0.85 ALDH1A1 (0.58) ALDH1A1LMNAKDM4EAPOBEC3AAPOBEC3G
SCHEMBL9861200 0.85 ALDH1A1 (0.58) ALDH1A1LMNAKDM4EAPOBEC3AAPOBEC3G
SCHEMBL7793171 0.84 ALDH1A1 (0.61) ALDH1A1LMNAKDM4EAPOBEC3AAPOBEC3G
SCHEMBL6353084 0.84 ALDH1A1 (0.61) ALDH1A1LMNAKDM4EAPOBEC3AAPOBEC3G
SCHEMBL10686198 0.81 ALDH1A1 (0.61) ALDH1A1LMNAKDM4EAPOBEC3AAPOBEC3G

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
EP-1253130-B1 Method for producing 3-l-menthoxypropane-1,2-diol TAKASAGO PERFUMERY CO LTD (JP) 2005-11-02 EP disclosed
US-6515188-B2 Reacting l-menthol with 1,2-epoxy-3-halogenopropane in an organic solvent and Lewis acid, the product is reacted with a alkali metal salt of a carboxyalkyl acid, followed by hydrolysis TAKASAGO INTERNATIONAL CORPORATION (JP) 2003-02-04 US disclosed
EP-1253130-A2 Method for producing 3-l-menthoxypropane-1,2-diol Takasago International Corporation (JP) 2002-10-30 EP disclosed
US-20020156327-A1 Method for producing 3-l-menthoxypropane-1,2-diol TAKASAGO INTERNATIONAL CORPORATION (JP) 2002-10-24 US disclosed
US-20020077367-A1 PROCESS FOR PRODUCING 3-L-MENTHOXYPROPANE-1,2-DIOL TAKASAGO INTERNATIONAL CORPORATION (JP) 2002-06-20 US disclosed
EP-1201635-A1 Process for producing 3-l-menthoxypropane-1,2-diol Takasago International Corporation (JP) 2002-05-02 EP disclosed
US-5608119-A (2S)-3-[(1R, 2S, 5R)-[5-methyl-2-(1-methylethyl)-cyclohexyl]oxy]-1, 2-propanediol, process for producing the same, and compositions containing the same TAKASAGO INTERNATIONAL CORPORATION (JP) 1997-03-04 US disclosed
US-4459425-A PHYSIOLOGICAL COOLANTS TAKASAGO PERFUMERY CO., LTD. (JP) 1984-07-10 US disclosed
EP-0080148-A1 3-l-menthoxypropane-1,2-Diol Takasago Perfumery Co., Ltd. (JP) 1983-06-01 EP 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-20020156327-A1 Method for producing 3-l-menthoxypropane-1,2-diol LOXL2, FAAH2, LOXL1 ALDH1A1 59/4885LMNA 2536/4885KDM4E 1229/4885
US-20020077367-A1 PROCESS FOR PRODUCING 3-L-MENTHOXYPROPANE-1,2-DIOL LOXL1, LOXL2, LOX ALDH1A1 28/4885LMNA 2191/4885KDM4E 949/4885

“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.