SCHEMBL12449335

SCHEMBL12449335

CC1CC[C@@H](C(C)C)[C@H](OC(=O)OCCO)C1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.51
CYP19A1 P11511 2/20 0.49
ALDH1A1 P00352 8/20 0.47
HPGD P15428 2/20 0.47
MAPT P10636 3/20 0.46
TSHR P16473 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
KDM4E B2RXH2 2/20 0.44
GAA P10253 1/20 0.44
MAPK1 P28482 1/20 0.44
USP2 O75604 1/20 0.43
LMNA P02545 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TRPM8 Q7Z2W7 1/20 0.42
APOBEC3A P31941 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41

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
SCHEMBL906566 1.00 EPHX1 (0.51) EPHX1CYP19A1ALDH1A1HPGDMAPT
SCHEMBL113398 1.00 EPHX1 (0.51) EPHX1CYP19A1ALDH1A1HPGDMAPT
SCHEMBL19865132 1.00 EPHX1 (0.51) EPHX1CYP19A1ALDH1A1HPGDMAPT
SCHEMBL28260167 1.00 EPHX1 (0.51) EPHX1CYP19A1ALDH1A1HPGDMAPT
SCHEMBL4660355 0.93 EPHX1 (0.50) EPHX1CYP19A1ALDH1A1HPGDMAPT
SCHEMBL28880174 0.93 EPHX1 (0.55) EPHX1CYP19A1ALDH1A1HPGDMAPT
SCHEMBL536647 0.91 EPHX1 (0.48) EPHX1CYP19A1ALDH1A1HPGDMAPT
SCHEMBL537561 0.91 EPHX1 (0.48) EPHX1CYP19A1ALDH1A1HPGDMAPT
SCHEMBL20917768 0.90 CYP19A1 (0.45) EPHX1CYP19A1ALDH1A1HPGDMAPT
SCHEMBL6941897 0.89 EPHX1 (0.51) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11696884-B2 Compositions comprising menthol compounds as smoothing agents SYMRISE AG (DE) 2023-07-11 US disclosed
WO-2021023569-A1 PURIFICATION OF AROMA CHEMICALS BASF SE (DE) 2021-02-11 WO disclosed
US-20180042832-A1 COMPOSITIONS COMPRISING MENTHOL COMPOUNDS AS SMOOTHING AGENTS SYMRISE AG (DE) 2018-02-15 US disclosed
US-9320705-B2 Sensation modifying topical composition foam FOAMIX PHARMACEUTICALS LTD. (IL) 2016-04-26 US disclosed
US-20120237453-A1 SENSATION MODIFYING TOPICAL COMPOSITION FOAM FOAMIX LTD. (IL) 2012-09-20 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-11696884-B2 Compositions comprising menthol compounds as smoothing agents SMURF1, SMURF2, S1PR2 EPHX1 2359/4885CYP19A1 737/4885ALDH1A1 1651/4885
US-20180042832-A1 COMPOSITIONS COMPRISING MENTHOL COMPOUNDS AS SMOOTHING AGENTS SMURF1, SMURF2, S1PR2 EPHX1 2359/4885CYP19A1 737/4885ALDH1A1 1651/4885
US-20120237453-A1 SENSATION MODIFYING TOPICAL COMPOSITION FOAM TRPA1, GPR35, TRPV1 EPHX1 1201/4885CYP19A1 525/4885ALDH1A1 2137/4885

“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.