SCHEMBL12740486

SCHEMBL12740486

C/C=C/c1ccc(-c2ccc(-c3ccc(OCc4ccc(OCC)c(F)c4F)cc3)c(F)c2F)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RELA Q04206 1/20 0.37
▸ FFAR1 O14842 3/20 0.36
▸ PPARG P37231 1/20 0.36
▸ PPARD Q03181 1/20 0.36
▸ PPARA Q07869 1/20 0.36
▸ FFAR4 Q5NUL3 2/20 0.35
▸ GSK3B P49841 2/20 0.35
▸ BACE1 P56817 2/20 0.35
▸ ALDH1A1 P00352 3/20 0.34
▸ LMNA P02545 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ HPGD P15428 2/20 0.34
▸ TUBB4A P04350 1/20 0.34
▸ TUBB P07437 1/20 0.34
▸ TUBA3C P0DPH7 1/20 0.34
▸ TUBA1B P68363 1/20 0.34
▸ TUBA4A P68366 1/20 0.34
▸ TUBB4B P68371 1/20 0.34
▸ TUBB3 Q13509 1/20 0.34
▸ TUBB2A Q13885 1/20 0.34

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
SCHEMBL12737017 1.00 RELA (0.37) RELAFFAR1PPARGPPARDPPARA
SCHEMBL12737087 0.92 FFAR1 (0.41) RELAFFAR1PPARGPPARDPPARA
SCHEMBL10302527 0.90 GSK3B (0.40) FFAR1PPARGPPARDPPARAFFAR4
SCHEMBL12994426 0.90 FFAR4 (0.35) FFAR1PPARDFFAR4L3MBTL1CACNA1C
SCHEMBL12737129 0.88 GSK3B (0.40) RELAFFAR1PPARGPPARDPPARA
SCHEMBL14767163 0.88 FFAR1 (0.41) FFAR1PPARDFFAR4ALDH1A1LMNA
SCHEMBL14766253 0.88 FFAR1 (0.41) FFAR1PPARDFFAR4ALDH1A1LMNA
SCHEMBL23870623 0.88 TUBB1 (0.39) RELAFFAR4ALDH1A1LMNAMAPT
SCHEMBL12740484 0.87 CHRNB2 (0.36) RELAFFAR1PPARGPPARDPPARA
SCHEMBL12737014 0.87 CHRNB2 (0.36) RELAFFAR1PPARGPPARDPPARA

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-8394294-B2 Four-ring liquid crystal compound having lateral fluorine, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-03-12 — — US disclosed
US-8394294-B2 Four-ring liquid crystal compound having lateral fluorine, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-03-12 — — US disclosed
US-20110090450-A1 FOUR-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2011-04-21 — — 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-20110090450-A1 FOUR-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE LEF1, LAS1L, EFHD2 RELA 3454/4885FFAR1 247/4885PPARG 3918/4885

“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.

Send feedback