SCHEMBL13025865

SCHEMBL13025865

CCCCCC1CCC(C2CCC(OC(=O)c3ccc(CCC)c(C(F)F)c3F)CC2)CC1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.33
HTR3A P46098 7/20 0.32
HTR3E A5X5Y0 6/20 0.32
HTR3B O95264 6/20 0.32
HTR3D Q70Z44 6/20 0.32
HTR3C Q8WXA8 6/20 0.32
PKM P14618 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
SCHEMBL9406216 0.81 SCN1A (0.33) NAAAHTR3A
SCHEMBL9406213 0.81 SCN1A (0.33) NAAAHTR3A
SCHEMBL9457296 0.81 NAAA (0.38) NAAA
SCHEMBL9457291 0.81 NAAA (0.38) NAAA
SCHEMBL9457323 0.81 SCN1A (0.33) NAAAHTR3A
SCHEMBL9457310 0.81 SCN1A (0.33) NAAAHTR3A
SCHEMBL13025795 0.81 NAAA (0.35) NAAAHTR3AHTR3EHTR3BHTR3D
SCHEMBL9406315 0.81 NAAA (0.37) NAAAHTR3AHTR3EHTR3BHTR3D
SCHEMBL9406319 0.81 NAAA (0.37) NAAAHTR3AHTR3EHTR3BHTR3D
SCHEMBL13025810 0.80 NAAA (0.33) NAAAHTR3AHTR3EHTR3BHTR3D

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-7838087-B2 Benzene derivative, liquid crystal composition and liquid crystal display device CHISSO CORPORATION (JP) 2010-11-23 US disclosed
US-20070200092-A1 Benzene Derivative, Liquid Crystal Composition And Liquid Crystal Display Device JNC PETROCHEMICAL CORPORATION (JP) 2007-08-30 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-20070200092-A1 Benzene Derivative, Liquid Crystal Composition And Liquid Crystal Display Device CCND2, YBX1, CNKSR1 NAAA 4164/4885HTR3A 4329/4885HTR3E 4286/4885

“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.