SCHEMBL10301833

SCHEMBL10301833

CCCCCc1ccc(/C=C/C2CCC(c3ccc(OC)cc3F)CC2)c(F)c1F

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 1/20 0.35
▸ CNR2 P34972 7/20 0.34
▸ CNR1 P21554 5/20 0.34
▸ CYP1A1 P04798 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP1B1 Q16678 1/20 0.33
▸ GRM2 Q14416 1/20 0.32
▸ SIGMAR1 Q99720 1/20 0.32
▸ PTGS2 P35354 2/20 0.31
▸ USP2 O75604 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ TSHR P16473 1/20 0.30

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
SCHEMBL10301836 0.91 CNR2 (0.33) CNR2CNR1TSHR
SCHEMBL10301832 0.89 CYP1A1 (0.36) CYP1A1CYP1A2CYP1B1
SCHEMBL10301839 0.86 CYP1A1 (0.35) CYP1A1CYP1A2CYP1B1
SCHEMBL12734145 0.86 OPRL1 (0.34) HTR2ACYP1A1CYP1A2CYP1B1
SCHEMBL12734330 0.86 HTR2A (0.38) HTR2A
SCHEMBL10301835 0.84 CAMKK1 (0.30) MAPT
SCHEMBL10301779 0.84 ALOX5 (0.34) HTR2APTGS2
SCHEMBL10301777 0.84 — —
SCHEMBL12734141 0.82 CYP1A2 (0.35) CYP1A1CYP1A2CYP1B1MAPT
SCHEMBL12889584 0.82 CNR2 (0.41) HTR2ACNR2CNR1

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 2 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-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

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 HTR2A 1823/4885CNR2 2145/4885CNR1 1338/4885

“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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