SCHEMBL12822748

SCHEMBL12822748

CCCC(O)C1CCC(c2ccc(C3CCC(OC(=O)c4ccc(C5CO5)c(F)c4)CC3)c(F)c2F)CC1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.33
▸ IDO1 P14902 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ GPR119 Q8TDV5 1/20 0.31
▸ SERPINE1 P05121 1/20 0.31
▸ ADORA1 P30542 2/20 0.31
▸ PDE2A O00408 2/20 0.31
▸ CCR2 P41597 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ HTT P42858 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
SCHEMBL12823877 0.88 SERPINE1 (0.38) KMT2AIDO1TP53GPR119SERPINE1
SCHEMBL13586418 0.87 PDE2A (0.30) PDE2A
SCHEMBL13586510 0.86 KCNQ3 (0.39) KMT2AIDO1
SCHEMBL12823447 0.86 PDE2A (0.32) PDE2A
SCHEMBL12823660 0.86 ALOX5AP (0.32) —
SCHEMBL12823921 0.85 CYP2C9 (0.38) KMT2ATP53GPR119SERPINE1ALDH1A1
SCHEMBL13586320 0.85 PDE4A (0.32) KMT2A
SCHEMBL12823923 0.84 PDE2A (0.30) PDE2A
SCHEMBL12823918 0.83 KMT2A (0.38) KMT2ATP53SERPINE1PDE2AALDH1A1
SCHEMBL12823184 0.82 ALOX5AP (0.33) KMT2A

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 KMT2A 1271/4885IDO1 1869/4885TP53 3599/4885

“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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