Sugi Predict

Sugi Predict / Compounds / SCHEMBL2866899

SCHEMBL2866899

SCHEMBL2866899

CCCCC[C@H]1CC[C@H](COc2ccc(Br)cc2F)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RET P07949 3/20 0.40
▸ EGFR P00533 6/20 0.39
▸ FGFR1 P11362 6/20 0.39
▸ FLT1 P17948 6/20 0.39
▸ FLT4 P35916 6/20 0.39
▸ KDR P35968 6/20 0.39
▸ HTR2A P28223 3/20 0.39
▸ HTR2B P41595 3/20 0.39
▸ PDGFRB P09619 2/20 0.39
▸ TEK Q02763 2/20 0.39
▸ HTT P42858 2/20 0.39
▸ BMPR1B O00238 1/20 0.39
▸ PLK4 O00444 1/20 0.39
▸ CIT O14578 1/20 0.39
▸ GAK O14976 1/20 0.39
▸ EPHB6 O15197 1/20 0.39
▸ RIPK2 O43353 1/20 0.39
▸ ROCK2 O75116 1/20 0.39
▸ STK10 O94804 1/20 0.39
▸ MAP4K4 O95819 1/20 0.39

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
SCHEMBL2866897 1.00 RET (0.40) RETEGFRFGFR1FLT1FLT4
SCHEMBL10019613 0.92 RET (0.42) RETEGFRFGFR1FLT1FLT4
SCHEMBL9256391 0.87 HTR2A (0.45) HTR2AHTR2BSLC6A4SLC6A3HTR2C
SCHEMBL9256397 0.87 HTR2A (0.45) HTR2AHTR2BSLC6A4SLC6A3HTR2C
SCHEMBL3988212 0.86 HTR2A (0.43) RETEGFRFGFR1FLT1FLT4
SCHEMBL18351541 0.85 EGFR (0.37) RETEGFRFGFR1FLT1FLT4
SCHEMBL9254954 0.84 HTR2A (0.43) HTR2AHTR2BSLC6A4SLC6A3HTR2C
SCHEMBL9254949 0.84 HTR2A (0.43) HTR2AHTR2BSLC6A4SLC6A3HTR2C
SCHEMBL10712122 0.83 S1PR3 (0.38) HTR2AHTR2BSMN1; SMN2HTR2CTLR9
SCHEMBL9254510 0.83 HTR2A (0.46) HTR2AHTR2BHTR2CTLR9TLR8

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
EP-2206695-B1 TETRA- OR PENTA-CYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT JNC CORP (JP) 2013-09-18 — — EP 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 RET 1328/4885EGFR 646/4885FGFR1 601/4885

“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.