SCHEMBL12822981

SCHEMBL12822981

CCCC(O)c1ccc(-c2ccc(-c3ccc(/C=C/c4ccc(O)cc4F)cc3)c(F)c2F)cc1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PELI1 Q96FA3 2/20 0.37
▸ NFE2L2 Q16236 3/20 0.36
▸ PTGS1 P23219 1/20 0.36
▸ PTGS2 P35354 1/20 0.36
▸ ESR1 P03372 5/20 0.35
▸ MIF P14174 1/20 0.35
▸ KCNA3 P22001 2/20 0.34
▸ APP P05067 3/20 0.33
▸ F2 P00734 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ MAPT P10636 1/20 0.32
▸ BACE1 P56817 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
SCHEMBL12822761 0.94 APP (0.37) PELI1NFE2L2ESR1KCNA3APP
SCHEMBL10302939 0.88 PTGS1 (0.35) NFE2L2PTGS1PTGS2KCNA3APP
SCHEMBL12823723 0.85 MEN1 (0.39) PTGS2ESR1APPMAPT
SCHEMBL12823685 0.84 KCNA3 (0.31) KCNA3
SCHEMBL12821288 0.84 KCNA3 (0.31) KCNA3
SCHEMBL12821294 0.84 CYP17A1 (0.40) ESR1KCNA3CYP3A4
SCHEMBL10302927 0.83 TUBB1 (0.35) NFE2L2PTGS1PTGS2KCNA3
SCHEMBL12823421 0.83 KDM1A (0.39) PELI1NFE2L2PTGS1PTGS2KCNA3
SCHEMBL12719057 0.83 KCNA3 (0.31) NFE2L2KCNA3
SCHEMBL10302909 0.82 ESR1 (0.37) PELI1NFE2L2ESR1KCNA3APP

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 1 patent. 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

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 PELI1 1762/4885NFE2L2 1574/4885PTGS1 4149/4885

“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