SCHEMBL12822618

SCHEMBL12822618

C=CCCOc1ccc(/C=C/c2ccc(-c3ccc(C4CCC(C(O)CCC)CC4)c(F)c3F)cc2)c(F)c1

nearest known ligand 0.30

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CYP1A1 P04798 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ CYP1B1 Q16678 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
SCHEMBL12718744 0.96 HDAC8 (0.31) —
SCHEMBL12822652 0.94 FFAR4 (0.30) —
SCHEMBL12822991 0.91 FFAR4 (0.31) CYP1A1CYP1A2CYP1B1
SCHEMBL13586597 0.91 FFAR4 (0.33) CYP1A1CYP1A2CYP1B1
SCHEMBL12823056 0.90 HDAC8 (0.31) —
SCHEMBL12718128 0.88 — —
SCHEMBL12822745 0.88 — —
SCHEMBL12719011 0.87 — —
SCHEMBL12739484 0.86 CYP1A1 (0.32) CYP1A1CYP1A2CYP1B1
SCHEMBL12719223 0.86 FFAR4 (0.35) —

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-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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