SCHEMBL1783559

SCHEMBL1783559

CC1CCC(C(C)C)C(OCC(OC(=O)O)C2CC(C)CCC2C(C)C)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.48
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 1/20 0.46
APOBEC3A P31941 1/20 0.46
APOBEC3G Q9HC16 1/20 0.46
MAPT P10636 1/20 0.46
GAA P10253 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
NTSR1 P30989 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
P2RX4 Q99571 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
XBP1 P17861 1/20 0.43
CYP2C19 P33261 1/20 0.43
EPHX1 P07099 3/20 0.42
CYP19A1 P11511 2/20 0.41
SERPINE1 P05121 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
SCHEMBL1132991 0.85 LMNA (0.51) LMNAALDH1A1KDM4EAPOBEC3AAPOBEC3G
SCHEMBL1663415 0.82 LMNA (0.48) LMNAALDH1A1KDM4EAPOBEC3AAPOBEC3G
SCHEMBL4054209 0.78 ALDH1A1 (0.41) LMNAALDH1A1KDM4EAPOBEC3AAPOBEC3G
SCHEMBL4167469 0.78 EPHX1 (0.38) LMNAALDH1A1MEN1KMT2AP2RX4
SCHEMBL31541390 0.77 LMNA (0.51) LMNAALDH1A1KDM4EAPOBEC3AAPOBEC3G
SCHEMBL3923672 0.76 P2RX4 (0.55) LMNAALDH1A1KDM4EAPOBEC3AAPOBEC3G
SCHEMBL17473729 0.76 P2RX4 (0.55) LMNAALDH1A1KDM4EAPOBEC3AAPOBEC3G
SCHEMBL16518819 0.76 P2RX4 (0.55) LMNAALDH1A1KDM4EAPOBEC3AAPOBEC3G
SCHEMBL5825056 0.76 P2RX4 (0.55) LMNAALDH1A1KDM4EAPOBEC3AAPOBEC3G
SCHEMBL12962519 0.76 P2RX4 (0.55) LMNAALDH1A1KDM4EAPOBEC3AAPOBEC3G

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8632792-B2 Cooling sensation agent composition and sensory stimulation agent composition TAKASAGO INTERNATIONAL CORPORATION (JP) 2014-01-21 US disclosed
US-20110117147-A1 COOLING SENSATION AGENT COMPOSITION AND SENSORY STIMULATION AGENT COMPOSITION TAKASAGO INTERNATIONAL CORPORATION (JP) 2011-05-19 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 (1 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-20110117147-A1 COOLING SENSATION AGENT COMPOSITION AND SENSORY STIMULATION AGENT COMPOSITION TRPA1, HRH1, HRH2 LMNA 1708/4885ALDH1A1 520/4885KDM4E 3549/4885

“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.