SCHEMBL2810288

SCHEMBL2810288

[CH].c1ccc(C2CCCCC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SLC18A3 Q16572 7/20 0.61
▸ SIGMAR1 Q99720 2/20 0.56
▸ CYP11B2 P19099 1/20 0.54
▸ CYP2D6 P10635 3/20 0.52
▸ KMO O15229 1/20 0.52
▸ CYP2C19 P33261 1/20 0.52
▸ TSHR P16473 2/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.48
▸ APEX1 P27695 1/20 0.48
▸ BLM P54132 1/20 0.48
▸ TRPA1 O75762 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
Cyclohexane SCHEMBL11811100 0.97 SLC18A3 (0.63) SLC18A3SIGMAR1CYP11B2CYP2D6KMO
Benzene SCHEMBL11808437 0.97 SLC18A3 (0.63) SLC18A3SIGMAR1CYP11B2CYP2D6KMO
SCHEMBL19198566 0.97 SLC18A3 (0.63) SLC18A3SIGMAR1CYP11B2CYP2D6KMO
SCHEMBL11562787 0.97 SLC18A3 (0.63) SLC18A3SIGMAR1CYP11B2CYP2D6KMO
SCHEMBL447032 0.97 SLC18A3 (0.63) SLC18A3SIGMAR1CYP11B2CYP2D6KMO
SCHEMBL19262690 0.97 SLC18A3 (0.63) SLC18A3SIGMAR1CYP11B2CYP2D6KMO
SCHEMBL30731352 0.97 SLC18A3 (0.63) SLC18A3SIGMAR1CYP11B2CYP2D6KMO
SCHEMBL790829 0.97 SLC18A3 (0.63) SLC18A3SIGMAR1CYP11B2CYP2D6KMO
SCHEMBL42833 0.97 SLC18A3 (0.63) SLC18A3SIGMAR1CYP11B2CYP2D6KMO
SCHEMBL190370 0.97 SLC18A3 (0.63) SLC18A3SIGMAR1CYP11B2CYP2D6KMO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9988331-B2 Method for producing optically active, racemic menthol BASF SE (DE) 2018-06-05 — — US disclosed
US-20140158515-A1 CONTINUOUS PROCESS FOR PREPARING MENTHOL IN PURE OR ENRICHED FORM BASF SE (DE) 2014-06-12 — — US disclosed
US-8414744-B2 Continuous process for preparing menthol in pure or enriched form BASF SE (DE) 2013-04-09 — — US disclosed
US-20130046118-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE, RACEMIC MENTHOL BASF SE (DE) 2013-02-21 — — US disclosed
US-8318985-B2 Method for producing optically active, racemic menthol BASF SE (DE) 2012-11-27 — — US disclosed
US-20100249467-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE, RACEMIC MENTHOL BASF SE (DE) 2010-09-30 — — US disclosed
US-20100206712-A1 CONTINUOUS PROCESS FOR PREPARING MENTHOL IN PURE OR ENRICHED FORM BASF SE (DE) 2010-08-19 — — 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 (4 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-20130046118-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE, RACEMIC MENTHOL ADH1C, DHCR7, MSMO1 SLC18A3 3182/4885SIGMAR1 1801/4885CYP11B2 206/4885
US-20140158515-A1 CONTINUOUS PROCESS FOR PREPARING MENTHOL IN PURE OR ENRICHED FORM MCCC2, OPRM1, MED1 SLC18A3 784/4885SIGMAR1 840/4885CYP11B2 220/4885
US-20100249467-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE, RACEMIC MENTHOL ADH1C, DHCR7, MSMO1 SLC18A3 3182/4885SIGMAR1 1801/4885CYP11B2 206/4885
US-20100206712-A1 CONTINUOUS PROCESS FOR PREPARING MENTHOL IN PURE OR ENRICHED FORM MCCC2, MED1, OPRM1 SLC18A3 732/4885SIGMAR1 883/4885CYP11B2 228/4885

“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.

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