SCHEMBL12823914

SCHEMBL12823914

COc1ccc(C(=O)OC2CCC(c3ccc(C4CCC(OC)CC4)c(F)c3F)CC2)c(F)c1F

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NAAA Q02083 1/20 0.38
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ USP30 Q70CQ3 1/20 0.37
▸ PIN1 Q13526 2/20 0.37
▸ PDE5A O76074 1/20 0.35
▸ PARP1 P09874 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ TP53 P04637 2/20 0.33
▸ TAS1R3 Q7RTX0 2/20 0.33
▸ TAS1R1 Q7RTX1 2/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ TDP1 Q9NUW8 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
SCHEMBL12823449 1.00 NAAA (0.38) NAAAMEN1KMT2AUSP30PIN1
SCHEMBL14766370 0.90 SMN1; SMN2 (0.37) NAAAMEN1KMT2AUSP30PARP1
SCHEMBL12822542 0.90 SMN1; SMN2 (0.37) NAAAMEN1KMT2AUSP30PARP1
SCHEMBL12823501 0.89 NAAA (0.42) NAAAMEN1KMT2APIN1PDE5A
SCHEMBL12741060 0.89 USP30 (0.39) NAAAMEN1KMT2AUSP30PIN1
SCHEMBL12737591 0.89 USP30 (0.39) NAAAMEN1KMT2AUSP30PIN1
SCHEMBL12737599 0.89 USP30 (0.39) NAAAMEN1KMT2AUSP30PIN1
SCHEMBL12741053 0.89 USP30 (0.39) NAAAMEN1KMT2AUSP30PIN1
SCHEMBL12821305 0.86 PDE2A (0.34) KMT2APARP1TP53
SCHEMBL12719463 0.86 PDE2A (0.34) KMT2APARP1TP53

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8394294-B2 Four-ring liquid crystal compound having lateral fluorine, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-03-12 — — US disclosed
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 NAAA 3997/4885MEN1 2496/4885KMT2A 1271/4885

“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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