SCHEMBL10043344

SCHEMBL10043344

CCC1CCC(c2cc(F)c(C3CCC(C4CCC(c5ccc(F)c(F)c5)CC4)CC3)c(F)c2)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP5 P45974 2/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ HTR2A P28223 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ HTR2B P41595 1/20 0.33
▸ TRPV3 Q8NET8 1/20 0.33
▸ USP30 Q70CQ3 1/20 0.33
▸ ADRA1A P35348 1/20 0.32
▸ HCRTR2 O43614 3/20 0.32
▸ CCR2 P41597 1/20 0.32
▸ TLR9 Q9NR96 1/20 0.31
▸ TLR8 Q9NR97 1/20 0.31
▸ TLR7 Q9NYK1 1/20 0.31
▸ CYP2C9 P11712 2/20 0.31
▸ CNR1 P21554 1/20 0.30
▸ DGAT1 O75907 1/20 0.30
▸ SOAT1 P35610 1/20 0.30
▸ ESR1 P03372 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ ESR2 Q92731 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
SCHEMBL18511910 0.93 HTR2A (0.37) USP5HDAC6HTR2AHTR2CHTR2B
SCHEMBL5683754 0.93 HTR2A (0.37) USP5HDAC6HTR2AHTR2CHTR2B
SCHEMBL3437346 0.93 HTR2A (0.37) USP5HDAC6HTR2AHTR2CHTR2B
SCHEMBL5683749 0.93 HTR2A (0.37) USP5HDAC6HTR2AHTR2CHTR2B
SCHEMBL12012971 0.89 CYP2C9 (0.38) USP5HDAC6HTR2AHTR2CHTR2B
SCHEMBL18511908 0.89 CYP2C9 (0.38) USP5HDAC6HTR2AHTR2CHTR2B
SCHEMBL8467336 0.88 HTR2A (0.40) USP5HDAC6HTR2AHTR2CHTR2B
SCHEMBL19159249 0.87 ESR2 (0.37) USP5HDAC6HTR2AHTR2CHTR2B
SCHEMBL10043154 0.86 OPRL1 (0.39) USP5HDAC6HTR2AHTR2CHTR2B
SCHEMBL10043173 0.86 CYP2C9 (0.35) USP5HDAC6ADRA1ACYP2C9CYP3A4

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-8470199-B2 Five-ring liquid crystal compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-06-25 — — US disclosed
US-8470199-B2 Five-ring liquid crystal compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-06-25 — — US disclosed
US-20120074355-A1 FIVE-RING LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2012-03-29 — — US disclosed
US-20120074355-A1 FIVE-RING LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2012-03-29 — — US disclosed
WO-2010146992-A1 PENTACYCLIC LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT チッソ株式会社 (JP) 2010-12-23 — — 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-20120074355-A1 FIVE-RING LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE HTR3D, KIF23, CCND3 USP5 2406/4885HDAC6 3966/4885HTR2A 856/4885

“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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