SCHEMBL3677267

SCHEMBL3677267

C=CCCc1cc(F)c(C(C)=O)c(F)c1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ MAOB P27338 2/20 0.33
▸ MAOA P21397 1/20 0.32
▸ POLB P06746 1/20 0.30
▸ PTGES O14684 1/20 0.30
▸ ALOX5 P09917 1/20 0.30
▸ PTGS1 P23219 1/20 0.30
▸ PTGS2 P35354 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
SCHEMBL6567195 0.84 GPR52 (0.33) —
SCHEMBL3679783 0.80 — —
SCHEMBL18033673 0.74 TAAR1 (0.44) —
SCHEMBL3753516 0.72 — —
SCHEMBL24595109 0.71 PTGS1 (0.33) PTGS1PTGS2
SCHEMBL22032145 0.71 RARB (0.44) —
SCHEMBL18006789 0.69 CYP2C9 (0.43) MEN1KMT2AMAOBMAOAPOLB
SCHEMBL25488430 0.69 ESR1 (0.36) MEN1KMT2ACYP3A4HPGDMAOB
SCHEMBL9133609 0.69 KMT2A (0.55) MEN1KMT2AHPGDMAOBMAOA
SCHEMBL14424432 0.69 PTGS1 (0.32) PTGS1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1479748-B1 Tolane derivatives and liquid crystalline medium MERCK PATENT GMBH (DE) 2010-03-17 — — EP disclosed
US-7255811-B2 Tolane derivatives and liquid crystalline medium MERCK PATENT GMBH (DE) 2007-08-14 — — US disclosed
US-20040236138-A1 Tolane derivatives and liquid crystalline medium MERCK PATENT GMBH (DE) 2004-11-25 — — US disclosed
EP-1479748-A2 Tolane derivatives and liquid crystalline medium MERCK PATENT GmbH (DE) 2004-11-24 — — 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-20040236138-A1 Tolane derivatives and liquid crystalline medium TLL1, TLL2, TBCD MEN1 1461/4885KMT2A 4715/4885CYP3A4 2035/4885

“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.

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