SCHEMBL10302135

SCHEMBL10302135

CCCc1ccc(CCC2CCC(c3ccc(OCC)c(F)c3F)CC2)c(F)c1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.34
GABRB2 P47870 1/20 0.34
RXRG P48443 1/20 0.33
HTR2A P28223 2/20 0.33
HTR2C P28335 2/20 0.33
CALM1 P0DP23 2/20 0.33
HTR6 P50406 1/20 0.32
KDM1A O60341 2/20 0.32
OPRL1 P41146 2/20 0.31
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HCRTR1 O43613 2/20 0.31
HCRTR2 O43614 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
SCHEMBL10302169 0.96 GABRA1 (0.34) GABRA1GABRB2RXRGCALM1HTR6
SCHEMBL10302136 0.93 S1PR1 (0.38) HTR2ASMN1; SMN2L3MBTL1
SCHEMBL10302134 0.93 HTR2A (0.33) RXRGHTR2AHTR2CHTR6KDM1A
SCHEMBL10302163 0.91 S1PR1 (0.36) RXRGHTR2ASMN1; SMN2L3MBTL1
SCHEMBL10302140 0.91 HTT (0.36) RXRGHTR2AHTR2CCALM1HTR6
SCHEMBL10302168 0.90 FFAR4 (0.35) RXRGCALM1HTR6ALDH1A1SMN1; SMN2
SCHEMBL10302166 0.88 FFAR4 (0.36) RXRGCALM1HTR6OPRL1HCRTR1
SCHEMBL12739744 0.88 HTR2A (0.35) HTR2AHTR2COPRL1
SCHEMBL10302141 0.87 SLC6A2 (0.36) HTR2AHTR2CKDM1AOPRL1ALDH1A1
SCHEMBL10302129 0.87 HTR2A (0.37) HTR2AHTR2COPRL1

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
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-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
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
WO-2009125668-A1 TRICYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE チッソ株式会社 (JP) 2009-10-15 WO 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 GABRA1 3899/4885GABRB2 4451/4885RXRG 3228/4885

“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.