SCHEMBL8970093

SCHEMBL8970093

CCOc1ccc(-c2ccc(-c3ccc(C#CC4CCC(C)CC4)c(F)c3)cc2)c(F)c1F

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.36
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
KDM1A O60341 2/20 0.31
FGFR2 P21802 2/20 0.31
FGFR1 P11362 1/20 0.31
TDP2 O95551 1/20 0.30
FFAR4 Q5NUL3 1/20 0.30
S1PR1 P21453 3/20 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
SCHEMBL9496150 0.84 ALDH1A1 (0.34) KDM1AFGFR2
SCHEMBL9496139 0.84 ALDH1A1 (0.34) KDM1AFGFR2
SCHEMBL13000850 0.82 NAAA (0.32) NAAACYP11B1CYP11B2
SCHEMBL8970212 0.81 GRIN1 (0.34) NAAAFGFR2FGFR1FFAR4S1PR1
SCHEMBL9020651 0.81 NAAA (0.36) NAAAKDM1AFGFR2FGFR1FFAR4
SCHEMBL8970206 0.81 NAAA (0.31) NAAA
SCHEMBL12733996 0.78 S1PR1 (0.31) S1PR1
SCHEMBL8970688 0.78 NAAA (0.53) NAAAFGFR2FGFR1
SCHEMBL8971164 0.76 NAAA (0.44) NAAAFGFR2FGFR1FFAR4
SCHEMBL9498544 0.76 HTR2C (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 NAAA 4128/4885CYP11B1 4674/4885CYP11B2 4590/4885

“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.