SCHEMBL12823187

SCHEMBL12823187

CCCC(O)c1ccc(-c2ccc(CCc3ccc(-c4ccc(O)c(F)c4F)cc3)c(F)c2F)cc1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.33
▸ ADRB2 P07550 8/20 0.32
▸ MPL P40238 4/20 0.32
▸ CHKA P35790 1/20 0.32
▸ ADRB1 P08588 2/20 0.31
▸ RARB P10826 1/20 0.31

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
SCHEMBL12822688 1.00 ALOX5 (0.33) ALOX5ADRB2MPLCHKAADRB1
SCHEMBL12822830 0.90 CYP17A1 (0.41) ADRB2RARB
SCHEMBL10303034 0.90 ADRB2 (0.35) ALOX5ADRB2MPLADRB1RARB
SCHEMBL10302991 0.90 ADRA2A (0.33) ALOX5ADRB2MPLCHKAADRB1
SCHEMBL12716550 0.88 CYP17A1 (0.33) ADRB2ADRB1
SCHEMBL12822732 0.87 HCAR2 (0.37) ADRB2RARB
SCHEMBL12823658 0.86 BRS3 (0.31) ALOX5MPL
SCHEMBL13586170 0.85 FFAR4 (0.35) CHKA
SCHEMBL12717002 0.85 FFAR4 (0.35) CHKA
SCHEMBL12822397 0.85 CYP17A1 (0.38) ALOX5ADRB2MPLRARB

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 ALOX5 830/4885ADRB2 526/4885MPL 4673/4885

“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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