SCHEMBL1481096

SCHEMBL1481096

CC1CCC(C(C)C)C(OC(O)CO)C1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
KDM4E B2RXH2 1/20 0.48
APOBEC3A P31941 1/20 0.48
APOBEC3G Q9HC16 1/20 0.48
LMNA P02545 2/20 0.47
TRPA1 O75762 2/20 0.46
TRPM8 Q7Z2W7 2/20 0.46
GAA P10253 1/20 0.44
EPHX1 P07099 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CYP19A1 P11511 2/20 0.42
NTSR1 P30989 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HPGD P15428 1/20 0.40
MAPT P10636 1/20 0.39
P2RX4 Q99571 1/20 0.39
NFE2L2 Q16236 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
SCHEMBL536505 0.87 ALDH1A1 (0.47) ALDH1A1KDM4EAPOBEC3AAPOBEC3GLMNA
SCHEMBL291142 0.87 ALDH1A1 (0.49) ALDH1A1KDM4EAPOBEC3AAPOBEC3GLMNA
SCHEMBL7793286 0.86 TRPA1 (0.52) ALDH1A1KDM4EAPOBEC3AAPOBEC3GLMNA
SCHEMBL584338 0.85 ALDH1A1 (0.50) ALDH1A1KDM4EAPOBEC3AAPOBEC3GLMNA
SCHEMBL6139335 0.85 ALDH1A1 (0.50) ALDH1A1KDM4EAPOBEC3AAPOBEC3GLMNA
SCHEMBL23187810 0.85 ALDH1A1 (0.50) ALDH1A1KDM4EAPOBEC3AAPOBEC3GLMNA
SCHEMBL906649 0.84 ALDH1A1 (0.47) ALDH1A1KDM4EAPOBEC3AAPOBEC3GLMNA
SCHEMBL1617999 0.82 TRPA1 (0.52) ALDH1A1KDM4EAPOBEC3AAPOBEC3GLMNA
SCHEMBL6137743 0.81 ALDH1A1 (0.44) ALDH1A1KDM4EAPOBEC3AAPOBEC3GLMNA
Glycerin SCHEMBL722939 0.80 LMNA (0.50) ALDH1A1KDM4EAPOBEC3AAPOBEC3GLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110077309-A1 HUMECTANT COMPOSITION TAKASAGO INTERNATIONAL CORPORATION (JP) 2011-03-31 US disclosed
EP-1946743-A2 Humectant Composition Takasago International Corporation (JP) 2008-07-23 EP disclosed
US-20080171794-A1 HUMECTANT COMPOSITION TAKASAGO INTERNATIONAL CORPORATION (JP) 2008-07-17 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 (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-20110077309-A1 HUMECTANT COMPOSITION HSPH1, HOGA1, HMOX2 ALDH1A1 124/4885KDM4E 383/4885APOBEC3A 3201/4885
US-20080171794-A1 HUMECTANT COMPOSITION HSPH1, HOGA1, HMOX2 ALDH1A1 124/4885KDM4E 383/4885APOBEC3A 3201/4885

“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.