SCHEMBL12822898

SCHEMBL12822898

C=CCCOc1ccc(-c2ccc(OCc3ccc(-c4ccc(C(O)CCC)cc4)c(F)c3F)cc2)c(F)c1F

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ CNR2 P34972 2/20 0.31
▸ CNR1 P21554 1/20 0.31
▸ DRD2 P14416 1/20 0.31
▸ HTR2A P28223 1/20 0.31
▸ HRH1 P35367 1/20 0.31
▸ FFAR1 O14842 1/20 0.30
▸ ADRB1 P08588 1/20 0.30
▸ ADRB3 P13945 1/20 0.30
▸ RET P07949 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
SCHEMBL12719442 1.00 MEN1 (0.34) MEN1KMT2ACNR2CNR1DRD2
SCHEMBL12719157 0.96 MEN1 (0.34) MEN1KMT2ACNR2CNR1DRD2
SCHEMBL12821964 0.96 MEN1 (0.34) MEN1KMT2ACNR2CNR1DRD2
SCHEMBL12822589 0.92 FAAH (0.33) MEN1KMT2ACNR2CNR1FFAR1
SCHEMBL10303325 0.92 FFAR1 (0.35) MEN1KMT2ACNR2CNR1FFAR1
SCHEMBL10303233 0.92 RET (0.31) CNR2CNR1RET
SCHEMBL12823268 0.90 FAAH (0.35) MEN1KMT2ACNR2CNR1FFAR1
SCHEMBL12823072 0.89 S1PR1 (0.33) MEN1KMT2AFFAR1
SCHEMBL12821206 0.89 CASR (0.33) FFAR1
SCHEMBL12823204 0.89 CASR (0.33) FFAR1

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-20110090450-A1 FOUR-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2011-04-21 — — US disclosed
WO-2009150966-A1 TETRACYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT チッソ株式会社 (JP) 2009-12-17 — — 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-20110090450-A1 FOUR-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE LEF1, LAS1L, EFHD2 MEN1 2496/4885KMT2A 1271/4885CNR2 686/4885

“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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