SCHEMBL6058683

SCHEMBL6058683

CCCC1CCC(C2(C(F)(F)F)CCCCC2)CC1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.35
OPRM1 P35372 1/20 0.30
OPRK1 P41145 1/20 0.30
OPRL1 P41146 1/20 0.30

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
SCHEMBL10638957 0.77 CYP1A2 (0.32) CYP1A2
SCHEMBL2572804 0.76
SCHEMBL28980630 0.76
SCHEMBL2572959 0.76
SCHEMBL11042254 0.74 CYP1A2 (0.38) CYP1A2OPRM1OPRK1OPRL1
SCHEMBL11042258 0.74 CYP1A2 (0.38) CYP1A2OPRM1OPRK1OPRL1
SCHEMBL17667954 0.71 CYP1A2 (0.35) CYP1A2
SCHEMBL7044398 0.71 CYP1A2 (0.35) CYP1A2
SCHEMBL8453519 0.71 CYP1A2 (0.32) CYP1A2
SCHEMBL10452404 0.71 CYP1A2 (0.32) CYP1A2

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-7030283-B2 Process for producing 1,1-difluorovinyl cycloaliphatic compounds AIR PRODUCTS AND CHEMICALS, INC. (US) 2006-04-18 US disclosed
US-20050165260-A1 Process for producing 1,1-difluorovinyl cycloaliphatic compounds VERSUM MATERIALS US, LLC 2005-07-28 US disclosed
EP-1557404-A1 Process for producing 1,1-Difluorovinyl cycloaliphatic compounds AIR PRODUCTS AND CHEMICALS, INC. (US) 2005-07-27 EP 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-20050165260-A1 Process for producing 1,1-difluorovinyl cycloaliphatic compounds KMO, KCNB1, KCNB2 CYP1A2 2721/4885OPRM1 2283/4885OPRK1 472/4885

“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.