SCHEMBL12823918

SCHEMBL12823918

COC1CCC(c2ccc(C3CCC(OC(=O)c4ccc(C5CO5)c(F)c4)CC3)c(F)c2F)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.38
▸ SERPINE1 P05121 1/20 0.36
▸ TP53 P04637 2/20 0.36
▸ RORC P51449 1/20 0.34
▸ CYP2D6 P10635 2/20 0.33
▸ MAPK7 Q13164 1/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ GRM1 Q13255 1/20 0.33
▸ SCN1A P35498 1/20 0.33
▸ SCN2A Q99250 1/20 0.33
▸ SCN3A Q9NY46 1/20 0.33
▸ PDE2A O00408 2/20 0.33
▸ USP2 O75604 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ ALOX15 P16050 1/20 0.32

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
SCHEMBL12823921 0.87 CYP2C9 (0.38) KMT2ASERPINE1TP53ALDH1A1MAPT
SCHEMBL12822417 0.86 SERPINE1 (0.34) KMT2ASERPINE1TP53MEN1USP2
SCHEMBL12719244 0.86 NAAA (0.35) KMT2ACYP2D6MEN1ALDH1A1GAA
SCHEMBL13586393 0.85 TP53 (0.33) TP53PDE2A
SCHEMBL12823873 0.84 HTT (0.46) KMT2ASERPINE1CYP2D6MEN1ALDH1A1
SCHEMBL13586318 0.84 ALOX5AP (0.37) KMT2ASERPINE1TP53SCN1ASCN2A
SCHEMBL12822748 0.83 KMT2A (0.33) KMT2ASERPINE1TP53PDE2AALDH1A1
SCHEMBL12821305 0.83 PDE2A (0.34) KMT2ATP53PDE2A
SCHEMBL12719463 0.83 PDE2A (0.34) KMT2ATP53PDE2A
SCHEMBL12823885 0.83 APP (0.33) KMT2ASERPINE1TP53SCN1ASCN2A

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 1271/4885SERPINE1 3296/4885TP53 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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