SCHEMBL12735774

SCHEMBL12735774

C/C=C/C1CCC(c2ccc(OCC3CCC(c4ccc(OCC)c(F)c4F)CC3)c(F)c2F)CC1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 2/20 0.34
▸ HTR2C P28335 2/20 0.34
▸ HTR2B P41595 2/20 0.34
▸ CNR2 P34972 11/20 0.33
▸ SCN9A Q15858 4/20 0.33
▸ ALOX5AP P20292 1/20 0.33
▸ FEN1 P39748 1/20 0.33
▸ SSTR5 P35346 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ CNR1 P21554 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
SCHEMBL12740621 1.00 HTR2A (0.34) HTR2AHTR2CHTR2BCNR2SCN9A
SCHEMBL12716116 0.93 KDM1A (0.33) —
SCHEMBL21614463 0.93 KDM1A (0.33) —
SCHEMBL15681359 0.93 KDM1A (0.33) —
SCHEMBL28595566 0.91 HTR2A (0.36) HTR2AHTR2CHTR2BSSTR5KCNH2
SCHEMBL22820268 0.91 HTR2A (0.36) HTR2AHTR2CHTR2BSSTR5KCNH2
SCHEMBL17407822 0.91 HTR2A (0.36) HTR2AHTR2CHTR2BSSTR5KCNH2
SCHEMBL28585122 0.91 HTR2A (0.36) HTR2AHTR2CHTR2BSSTR5KCNH2
SCHEMBL12735847 0.91 KDM1A (0.41) HTR2AHTR2CHTR2BCNR2SCN9A
SCHEMBL12735927 0.90 FFAR1 (0.34) HTR2AHTR2CHTR2BSCN9A

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-8394294-B2 Four-ring liquid crystal compound having lateral fluorine, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-03-12 — — US disclosed
US-8394294-B2 Four-ring liquid crystal compound having lateral fluorine, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-03-12 — — US disclosed
US-20110090450-A1 FOUR-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2011-04-21 — — US disclosed
WO-2009150966-A1 TETRACYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT チッソ株式会社 (JP) 2009-12-17 — — 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-20110090450-A1 FOUR-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE LEF1, LAS1L, EFHD2 HTR2A 841/4885HTR2C 253/4885HTR2B 932/4885

“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.

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