SCHEMBL20111640

SCHEMBL20111640

CCOc1ccc2c(c1F)-c1c-2cc(OCc2ccccc2)c(F)c1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.45
ADRA1D P25100 2/20 0.45
ADRA1A P35348 2/20 0.45
ADRA1B P35368 2/20 0.45
KDM4E B2RXH2 2/20 0.43
LMNA P02545 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ATM Q13315 1/20 0.43
MRGPRX4 Q96LA9 2/20 0.42
AOC3 Q16853 1/20 0.42
KDM1A O60341 2/20 0.41
ALDH1A1 P00352 2/20 0.40
MAPT P10636 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40
POLB P06746 1/20 0.40
THRB P10828 1/20 0.40

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
SCHEMBL20117611 0.88 GAA (0.46) KDM4ELMNAMEN1KMT2AATM
SCHEMBL20102464 0.84 SMPD1 (0.41) KDM4ELMNAALDH1A1MAPTRAB9A
SCHEMBL20111542 0.81 ADORA3 (0.39) KDM4EALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL20102390 0.78 L3MBTL1 (0.42) ATMALDH1A1MAPTHPGDRAB9A
SCHEMBL20102414 0.77 FGFR2 (0.39) KDM4ELMNAMEN1KMT2AATM
SCHEMBL20111217 0.77 L3MBTL1 (0.41) KDM4ELMNAMEN1KMT2AATM
SCHEMBL20111651 0.76 FGFR2 (0.38) MEN1KMT2AKDM1AALDH1A1SMN1; SMN2
SCHEMBL20111320 0.75 PTGS1 (0.35) KDM4ELMNAMEN1KMT2AKDM1A
SCHEMBL20102467 0.75 PTGDR2 (0.37) LMNAKDM1AALDH1A1MAPTHPGD
SCHEMBL23582260 0.74 HTR1A (0.59) HTR1AADRA1DADRA1AADRA1BKDM4E

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-10323187-B2 Liquid crystal compound having biphenylene, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2019-06-18 US disclosed
US-20180119009-A1 LIQUID CRYSTAL COMPOUND HAVING BIPHENYLENE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2018-05-03 US 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 (2 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-20180119009-A1 LIQUID CRYSTAL COMPOUND HAVING BIPHENYLENE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE YBX1, PIEZO1, C1S HTR1A 260/4885ADRA1D 81/4885ADRA1A 447/4885
US-10323187-B2 Liquid crystal compound having biphenylene, liquid crystal composition and liquid crystal display device YBX1, PIEZO1, C1S HTR1A 260/4885ADRA1D 81/4885ADRA1A 447/4885

“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.