SCHEMBL2861345

SCHEMBL2861345

CCCCCC1CCOC(=O)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 1.00
EPHX1 P07099 1/20 0.41
PPARG P37231 1/20 0.41
PKM P14618 1/20 0.39
MEN1 O00255 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL29356910 0.94 CYP1A2 (0.89) CYP1A2
SCHEMBL25192351 0.88 CYP1A2 (0.78) CYP1A2EPHX1PPARGPKMMEN1
SCHEMBL893893 0.86 CYP1A2 (0.76) CYP1A2
SCHEMBL20488928 0.86 CYP1A2 (0.75) CYP1A2EPHX1PKMMEN1HTT
SCHEMBL363462 0.84 CYP1A2 (0.73) CYP1A2EPHX1PPARGPKMMEN1
SCHEMBL29874518 0.84 CYP1A2 (0.73) CYP1A2EPHX1PPARGPKMMEN1
SCHEMBL8710704 0.83 CYP1A2 (0.71) CYP1A2EPHX1PPARG
SCHEMBL28238797 0.83 CYP1A2 (0.71) CYP1A2EPHX1PPARG
SCHEMBL28237732 0.83 CYP1A2 (0.71) CYP1A2EPHX1PPARG
SCHEMBL664978 0.81 CYP1A2 (0.69) CYP1A2EPHX1PPARG

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101868439-B 4, 5-ring liquid crystalline compound having lateral fluorine, liquid crystal composition, and liquid crystal display element JNC CORP 2014-02-05 CN disclosed
EP-2206695-B1 TETRA- OR PENTA-CYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT JNC CORP (JP) 2013-09-18 EP disclosed
US-8187494-B2 Four- or five-ring liquid crystal compound having lateral fluorine, liquid crystal composition, and liquid crystal display device JNC CORPORATION (JP) 2012-05-29 US disclosed
US-20100309402-A1 FOUR- OR FIVE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2010-12-09 US disclosed
CN-101868439-A 4, 5-ring liquid crystalline compound having lateral fluorine, liquid crystal composition, and liquid crystal display element CHISSO PETROCHEMICAL CORP 2010-10-20 CN disclosed
EP-2206695-A1 TETRA- OR PENTA-CYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT Chisso Corporation (JP) 2010-07-14 EP 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-20100309402-A1 FOUR- OR FIVE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE KIF23, HCN3, FZD7 CYP1A2 2155/4885EPHX1 3086/4885PPARG 2977/4885

“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.