SCHEMBL12822730

SCHEMBL12822730

COc1ccc(-c2ccc(CCc3ccc(-c4ccc(C5CO5)c(F)c4F)cc3)c(F)c2F)cn1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 1/20 0.37
▸ PDE3A Q14432 1/20 0.37
▸ ALOX5AP P20292 3/20 0.36
▸ FEN1 P39748 3/20 0.36
▸ GRM2 Q14416 2/20 0.36
▸ NAAA Q02083 1/20 0.35
▸ FFAR4 Q5NUL3 1/20 0.35
▸ F2RL3 Q96RI0 3/20 0.34
▸ TDO2 P48775 1/20 0.34
▸ RPS6KA3 P51812 1/20 0.33
▸ CYP2A6 P11509 1/20 0.33
▸ EPHB4 P54760 1/20 0.33
▸ HSD17B1 P14061 1/20 0.33
▸ HSD17B2 P37059 1/20 0.33

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
SCHEMBL12716823 0.85 MAOB (0.36) FFAR4
SCHEMBL12994409 0.84 FFAR4 (0.34) FFAR4
SCHEMBL12823605 0.83 CHKA (0.30) ALOX5APFEN1
SCHEMBL12822754 0.82 CHKA (0.36) —
SCHEMBL12907033 0.82 CHKA (0.36) —
SCHEMBL12717051 0.82 CHKA (0.36) —
SCHEMBL12718153 0.80 GRM2 (0.39) PDE3BPDE3AGRM2FFAR4F2RL3
SCHEMBL13586484 0.80 ALOX5AP (0.36) PDE3BPDE3AALOX5APFEN1GRM2
SCHEMBL12907591 0.79 FFAR1 (0.37) NAAA
SCHEMBL12716508 0.79 CHKA (0.33) —

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 PDE3B 3144/4885PDE3A 3253/4885ALOX5AP 1673/4885

“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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