Sugi Predict

Sugi Predict / Compounds / SCHEMBL8935065

SCHEMBL8935065

SCHEMBL8935065

C=CCOc1ccc(-c2ccc(-c3ccc(C4CCC(CC)CC4)c(F)c3F)cc2)c(F)c1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 12/20 0.37
▸ HTR2A P28223 8/20 0.37
▸ HTR2B P41595 6/20 0.36
▸ ALOX5AP P20292 3/20 0.33
▸ FEN1 P39748 3/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ FPR2 P25090 1/20 0.32
▸ ADRB2 P07550 2/20 0.31
▸ HTR1A P08908 2/20 0.31
▸ CHRM5 P08912 2/20 0.31
▸ ADRA2A P08913 2/20 0.31
▸ DRD2 P14416 2/20 0.31
▸ ADRA2B P18089 2/20 0.31
▸ ADRA2C P18825 2/20 0.31
▸ DRD4 P21917 2/20 0.31
▸ HRH2 P25021 2/20 0.31

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
SCHEMBL8962246 0.97 HTR2C (0.35) HTR2CHTR2AHTR2BALOX5APFEN1
SCHEMBL19985588 0.94 HTR2C (0.39) HTR2CHTR2AHTR2BLMNAMEN1
SCHEMBL19985420 0.90 HTR2C (0.38) HTR2CHTR2AHTR2BLMNAMEN1
SCHEMBL8935162 0.89 HTR2C (0.35) HTR2CHTR2AHTR2BALOX5APFEN1
SCHEMBL14765807 0.89 HTR2C (0.36) HTR2CHTR2AHTR2BALOX5APFEN1
SCHEMBL8934980 0.89 HTR2C (0.37) HTR2CHTR2AHTR2BALOX5APFEN1
SCHEMBL12733895 0.89 HTR2C (0.37) HTR2CHTR2AHTR2BALOX5APFEN1
SCHEMBL19985274 0.89 HTR2C (0.40) HTR2CHTR2AHTR2BLMNAMEN1
SCHEMBL10164629 0.88 FPR2 (0.36) ALOX5APFEN1ALDH1A1FPR2KCNH2
SCHEMBL8935665 0.88 HTR2C (0.34) HTR2CHTR2AHTR2BALOX5APFEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8187494-B2 Four- or five-ring liquid crystal compound having lateral fluorine, liquid crystal composition, and liquid crystal display device JNC CORPORATION (JP) 2012-05-29 — — US disclosed
US-8187494-B2 Four- or five-ring liquid crystal compound having lateral fluorine, liquid crystal composition, and liquid crystal display device JNC CORPORATION (JP) 2012-05-29 — — US disclosed
US-20100309402-A1 FOUR- OR FIVE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2010-12-09 — — US disclosed
EP-2206695-A1 TETRA- OR PENTA-CYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT Chisso Corporation (JP) 2010-07-14 — — 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-20100309402-A1 FOUR- OR FIVE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE KIF23, HCN3, FZD7 HTR2C 447/4885HTR2A 1638/4885HTR2B 1261/4885

“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.