SCHEMBL12718684

SCHEMBL12718684

C=CCOc1ccc(/C=C/c2ccc(-c3ccc(C4CCC(C(C)O)CC4)c(F)c3F)cc2)c(F)c1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ NPC1 O15118 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ CYP1A1 P04798 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP1B1 Q16678 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ FFAR4 Q5NUL3 6/20 0.30
▸ FFAR1 O14842 2/20 0.30
▸ MAOB P27338 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
SCHEMBL12821245 0.94 FFAR4 (0.33) MEN1LMNAMAPTKMT2ASMN1; SMN2
SCHEMBL12822991 0.92 FFAR4 (0.31) CYP1A1CYP1A2CYP1B1FFAR4
SCHEMBL13586598 0.91 FFAR4 (0.35) MEN1MAPTKMT2ANPC1RAB9A
SCHEMBL12739485 0.90 CYP1A1 (0.33) MEN1LMNAMAPTKMT2ASMN1; SMN2
SCHEMBL14766514 0.87 CYP1A1 (0.32) MEN1LMNAMAPTKMT2ASMN1; SMN2
SCHEMBL12718979 0.87 HTR2C (0.31) —
SCHEMBL12823043 0.87 HTR2C (0.31) —
SCHEMBL12822727 0.87 FFAR4 (0.34) FFAR4
SCHEMBL12718150 0.85 HTR2C (0.32) FFAR4
SCHEMBL12821286 0.85 PTGS2 (0.36) MEN1MAPTKMT2ANPC1RAB9A

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-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
EP-2305627-A1 TETRACYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT Chisso Corporation (JP) 2011-04-06 — — EP 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 2496/4885LMNA 530/4885MAPT 1075/4885

“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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