SCHEMBL12734501

SCHEMBL12734501

CCC1CCC(c2ccc(/C=C/c3ccc(-c4ccc(OC)cc4F)cc3)c(F)c2F)CC1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CYP1A1 P04798 5/20 0.40
▸ CYP1A2 P05177 5/20 0.40
▸ CYP1B1 Q16678 5/20 0.40
▸ NFE2L2 Q16236 7/20 0.37
▸ ERN1 O75460 1/20 0.36
▸ RELA Q04206 3/20 0.36
▸ GPR119 Q8TDV5 1/20 0.34
▸ CYP19A1 P11511 1/20 0.34
▸ AKR1C3 P42330 1/20 0.34
▸ AKR1C2 P52895 1/20 0.34
▸ USP7 Q93009 1/20 0.32

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
SCHEMBL12739455 0.92 CYP1A1 (0.45) CYP1A1CYP1A2CYP1B1NFE2L2RELA
SCHEMBL12734517 0.92 CYP1A1 (0.40) CYP1A1CYP1A2CYP1B1NFE2L2ERN1
SCHEMBL12734506 0.91 HMOX1 (0.35) CYP1A1CYP1A2CYP1B1RELA
SCHEMBL12734504 0.90 CYP1A1 (0.36) CYP1A1CYP1A2CYP1B1NFE2L2ERN1
SCHEMBL12821235 0.88 CYP1A1 (0.41) CYP1A1CYP1A2CYP1B1NFE2L2ERN1
SCHEMBL12734523 0.85 HMOX1 (0.36) RELA
SCHEMBL12734486 0.85 RARB (0.30) —
SCHEMBL12739470 0.85 CYP1A1 (0.45) CYP1A1CYP1A2CYP1B1NFE2L2RELA
SCHEMBL12739338 0.84 NFE2L2 (0.33) CYP1A1CYP1A2CYP1B1NFE2L2CYP19A1
SCHEMBL12716635 0.84 NFE2L2 (0.33) CYP1A1CYP1A2CYP1B1NFE2L2CYP19A1

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-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
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
WO-2009150966-A1 TETRACYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT チッソ株式会社 (JP) 2009-12-17 — — 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-20110090450-A1 FOUR-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE LEF1, LAS1L, EFHD2 CYP1A1 857/4885CYP1A2 650/4885CYP1B1 891/4885

“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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