SCHEMBL1243355

SCHEMBL1243355

CCOc1ccc(OCc2ccc(-c3ccc(OCC)c(F)c3F)cc2)c(F)c1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.42
ADRA1D P25100 2/20 0.42
ADRA1A P35348 2/20 0.42
ADRA1B P35368 2/20 0.42
FFAR4 Q5NUL3 2/20 0.40
TACR2 P21452 1/20 0.40
MAPT P10636 4/20 0.40
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 3/20 0.40
HPGD P15428 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
FGFR2 P21802 2/20 0.39
FGFR1 P11362 1/20 0.39
GAA P10253 2/20 0.39
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ATM Q13315 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.37

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
SCHEMBL12736483 0.95 HTR1A (0.39) HTR1AADRA1DADRA1AADRA1BFFAR4
SCHEMBL12740938 0.95 HTR1A (0.39) HTR1AADRA1DADRA1AADRA1BFFAR4
SCHEMBL14766357 0.94 NQO1 (0.41) HTR1AADRA1DADRA1AADRA1BFFAR4
SCHEMBL10303098 0.94 MRGPRX4 (0.45) HTR1AADRA1DADRA1AADRA1BFFAR4
SCHEMBL12740948 0.94 FFAR4 (0.48) HTR1AADRA1DADRA1AADRA1BFFAR4
SCHEMBL14767064 0.94 NQO1 (0.41) HTR1AADRA1DADRA1AADRA1BFFAR4
SCHEMBL12736494 0.94 S1PR1 (0.43) HTR1AADRA1DADRA1AADRA1BFFAR4
SCHEMBL12740945 0.94 S1PR1 (0.43) HTR1AADRA1DADRA1AADRA1BFFAR4
SCHEMBL12736499 0.94 FFAR4 (0.48) HTR1AADRA1DADRA1AADRA1BFFAR4
SCHEMBL10301563 0.93 FFAR4 (0.39) HTR1AADRA1DADRA1AADRA1BFFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2266941-B1 TRICYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORP (JP) 2014-03-05 EP disclosed
EP-2266941-B1 TRICYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORP (JP) 2014-03-05 EP disclosed
US-8216489-B2 Three-ring liquid crystal compound having lateral fluorine, liquid crystal composition, and liquid crystal display device JNC CORPORATION (JP) 2012-07-10 US disclosed
US-20110037024-A1 THREE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2011-02-17 US disclosed
EP-2266941-A1 TRICYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE Chisso Corporation (JP) 2010-12-29 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-20110037024-A1 THREE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE LEF1, LAS1L, L3MBTL3 HTR1A 591/4885ADRA1D 575/4885ADRA1A 948/4885

“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.