SCHEMBL2863491

SCHEMBL2863491

C=C[C@H]1CC[C@H](c2cccc(F)c2)CC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.38
HTR2A P28223 1/20 0.38
HTR2B P41595 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
MLYCD O95822 1/20 0.37
PARP10 Q53GL7 1/20 0.37
HDAC4 P56524 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
SCD5 Q86SK9 1/20 0.36
DRD4 P21917 1/20 0.36
NPC1 O15118 1/20 0.36
HCRTR2 O43614 1/20 0.36
KDM1A O60341 1/20 0.36
RCOR1 Q9UKL0 1/20 0.36
CCR5 P51681 1/20 0.34
LIPE Q05469 1/20 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
SCHEMBL2863492 1.00 HTR2C (0.38) HTR2CHTR2AHTR2BALDH1A1CYP3A4
SCHEMBL13604933 0.95 ALDH1A1 (0.36) HTR2CHTR2AHTR2BALDH1A1CYP3A4
SCHEMBL13586235 0.91 CHRM4 (0.38) HTR2CHTR2AHTR2BALDH1A1CYP3A4
SCHEMBL29878889 0.85 HTR2C (0.47) HTR2CHTR2AHTR2BALDH1A1CYP3A4
SCHEMBL1515236 0.85 HTR2C (0.47) HTR2CHTR2AHTR2BALDH1A1CYP3A4
SCHEMBL8932658 0.83 HCRTR2 (0.40) HTR2CHTR2AHTR2BMLYCDPARP10
SCHEMBL2858394 0.83 HCRTR2 (0.40) HTR2CHTR2AHTR2BMLYCDPARP10
SCHEMBL9482504 0.82 DRD4 (0.39) HTR2CHTR2AHTR2BALDH1A1CYP3A4
SCHEMBL7728665 0.82 DRD4 (0.39) HTR2CHTR2AHTR2BALDH1A1CYP3A4
SCHEMBL6550746 0.82 NPY5R (0.33) HCRTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101868439-B 4, 5-ring liquid crystalline compound having lateral fluorine, liquid crystal composition, and liquid crystal display element JNC CORP 2014-02-05 CN disclosed
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
CN-1303904-A Liquid crystal composition DAINIPPON INK & CHEMICALS (JP) 2001-07-18 CN 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.