SCHEMBL12823723

SCHEMBL12823723

CCCC(O)c1ccc(-c2ccc(-c3ccc(/C=C/c4ccc(OCC)cc4F)cc3)c(F)c2F)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ CYP1A1 P04798 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP1B1 Q16678 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ PTGS2 P35354 2/20 0.35
▸ FFAR1 O14842 1/20 0.35
▸ FFAR4 Q5NUL3 1/20 0.35
▸ DRD2 P14416 1/20 0.35
▸ HTR2A P28223 1/20 0.35
▸ HRH1 P35367 1/20 0.35
▸ ESR1 P03372 2/20 0.34

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
SCHEMBL12821251 0.94 PTGS2 (0.38) MEN1KMT2AKDM4ENPC1MAPT
SCHEMBL12823079 0.90 HDAC8 (0.35) MEN1KMT2ACYP1A1CYP1A2CYP1B1
SCHEMBL12823267 0.89 PTGS1 (0.33) CYP1A1CYP1A2CYP1B1PTGS2FFAR1
SCHEMBL13586262 0.89 PTGS2 (0.39) MEN1KMT2ACYP1A1CYP1A2CYP1B1
SCHEMBL10302927 0.88 TUBB1 (0.35) KMT2AKDM4EPTGS2FFAR1
SCHEMBL14766786 0.86 RELA (0.47) MEN1KMT2ACYP1A1CYP1A2CYP1B1
SCHEMBL12822981 0.85 PELI1 (0.37) MAPTPTGS2ESR1APP
SCHEMBL12823308 0.85 HDAC8 (0.34) PTGS2FFAR1FFAR4AHRHMOX1
SCHEMBL12718236 0.85 KMT2A (0.34) MEN1KMT2AKDM4EDRD2HTR2A
SCHEMBL12739613 0.84 CYP1A1 (0.41) MEN1KMT2ACYP1A1CYP1A2CYP1B1

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 1271/4885CYP1A1 857/4885

“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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