SCHEMBL6404032

SCHEMBL6404032

C[C]1CC1(C)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.41
OPRK1 P41145 1/20 0.41
OPRL1 P41146 1/20 0.41
CCR2 P41597 1/20 0.39
LMNA P02545 2/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
PAX8 Q06710 1/20 0.38
MCL1 Q07820 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
MAOA P21397 2/20 0.37
MAOB P27338 2/20 0.37
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
TSHR P16473 1/20 0.36
ALOX12 P18054 1/20 0.36
ACHE P22303 1/20 0.36

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
SCHEMBL4082808 0.77 CCR2 (0.42) OPRM1OPRK1OPRL1CCR2LMNA
SCHEMBL16529973 0.76 OPRM1 (0.42) OPRM1OPRK1OPRL1LMNAMAOA
SCHEMBL30550560 0.72 CCR2 (0.33) OPRM1OPRK1OPRL1CCR2LMNA
SCHEMBL23795268 0.72 MEN1 (0.50) OPRM1OPRK1OPRL1CCR2LMNA
SCHEMBL5678994 0.72 HDAC9 (0.42) OPRM1OPRK1OPRL1LMNAALDH1A1
SCHEMBL28331327 0.71 NPC1 (0.41) CCR2LMNAALDH1A1L3MBTL1MMP2
SCHEMBL27277978 0.70 OPRM1 (0.39) OPRM1OPRK1OPRL1CCR2LMNA
SCHEMBL8612396 0.70 OPRM1 (0.39) OPRM1OPRK1OPRL1CCR2LMNA
SCHEMBL28260768 0.70 OPRM1 (0.38) OPRM1OPRK1OPRL1LMNAALDH1A1
SCHEMBL11459652 0.69 OPRL1 (0.42) OPRM1OPRK1OPRL1CCR2SIGMAR1

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-20050096852-A1 Method for increasing the stability and intensity of odorant molecules FLEXITRAL, INC. 2005-05-05 US disclosed
WO-2003053887-A1 A METHOD FOR INCREASING THE STABILITY AND INTENSITY OF ODORANT MOLECULES FLEXITRAL, INC. (US) 2003-07-03 WO 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-20050096852-A1 Method for increasing the stability and intensity of odorant molecules OR51E2, OR10J3, ZKSCAN2 OPRM1 8/4885OPRK1 13/4885OPRL1 29/4885

“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.