SCHEMBL12823475

SCHEMBL12823475

CCCC(O)c1ccc(-c2ccc(OC(=O)c3ccc(-c4ccc(O)c(F)c4F)cc3)c(F)c2F)cc1

nearest known ligand 0.32

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 1/20 0.32
▸ TAS1R3 Q7RTX0 1/20 0.31
▸ TAS1R1 Q7RTX1 1/20 0.31
▸ MAPT P10636 2/20 0.31
▸ ADRB2 P07550 1/20 0.31
▸ ADRB1 P08588 1/20 0.31
▸ THRB P10828 1/20 0.31
▸ MAOB P27338 1/20 0.31
▸ RARB P10826 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ MPL P40238 2/20 0.31
▸ HSD17B2 P37059 1/20 0.30
▸ CA12 O43570 2/20 0.30
▸ CA1 P00915 2/20 0.30
▸ CA2 P00918 2/20 0.30
▸ CA9 Q16790 2/20 0.30
▸ CA14 Q9ULX7 2/20 0.30
▸ CA7 P43166 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
SCHEMBL12823697 1.00 EGFR (0.32) EGFRTAS1R3TAS1R1MAPTADRB2
SCHEMBL12822961 0.91 KDM4E (0.39) EGFRTAS1R3TAS1R1MAPTRARB
SCHEMBL12822091 0.90 FAAH (0.36) TAS1R3TAS1R1MAPTADRB1THRB
SCHEMBL12823485 0.88 APP (0.39) TAS1R3TAS1R1MAPTADRB1RARB
SCHEMBL12823717 0.85 TAS1R3 (0.36) TAS1R3TAS1R1RARB
SCHEMBL12821297 0.85 FAAH (0.42) TAS1R3TAS1R1MAPTADRB1THRB
SCHEMBL12716550 0.84 CYP17A1 (0.33) MAPTADRB2ADRB1ALDH1A1
SCHEMBL12823949 0.83 L3MBTL1 (0.34) MAPTADRB1ALDH1A1
SCHEMBL12717495 0.83 ALOX5AP (0.33) MAPTADRB1
SCHEMBL12717335 0.83 L3MBTL1 (0.34) MAPTADRB1ALDH1A1

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 EGFR 804/4885TAS1R3 525/4885TAS1R1 597/4885

“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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