SCHEMBL17083203

SCHEMBL17083203

CCCC1CCC(C=Cc2ccc(-c3cc(F)cc(F)c3)cc2)CC1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOB P27338 11/20 0.38
MAOA P21397 3/20 0.38
CYP17A1 P05093 5/20 0.38
CYP21A2 P08686 5/20 0.38
CYP11B1 P15538 5/20 0.38
CYP3A4 P08684 2/20 0.33
CYP19A1 P11511 2/20 0.33

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
SCHEMBL10345141 0.86 NFE2L2 (0.35) MAOBMAOACYP17A1CYP11B1
SCHEMBL8737347 0.82 MAOB (0.34) MAOBMAOA
SCHEMBL9630903 0.82 MAOB (0.34) MAOBMAOA
SCHEMBL9630908 0.82 MAOB (0.34) MAOBMAOA
SCHEMBL9630897 0.82 MAOB (0.34) MAOBMAOA
SCHEMBL8737349 0.82 MAOB (0.34) MAOBMAOA
SCHEMBL15744237 0.81 MAOB (0.31) MAOBMAOA
SCHEMBL16978484 0.80 CYP17A1 (0.45) MAOBMAOACYP17A1CYP21A2CYP11B1
SCHEMBL27935712 0.79 MAOB (0.50) MAOBMAOA
SCHEMBL27904620 0.78 MAOB (0.53) MAOBMAOA

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-9315727-B2 Compound having fluorinated naphthalene structure and liquid crystal composition of the same DIC Corporation (Tokyo) (JP) 2016-04-19 US disclosed
US-20150259599-A1 COMPOUND HAVING FLUORINATED NAPHTHALENE STRUCTURE AND LIQUID CRYSTAL COMPOSITION OF THE SAME DIC CORPORATION (JP) 2015-09-17 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 (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-20150259599-A1 COMPOUND HAVING FLUORINATED NAPHTHALENE STRUCTURE AND LIQUID CRYSTAL COMPOSITION OF THE SAME TNK1, CTNND1, FLI1 MAOB 2298/4885MAOA 2457/4885CYP17A1 603/4885

“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.