SCHEMBL12823113

SCHEMBL12823113

CCCC(O)c1ccc(-c2ccc(-c3ccc(OC(=O)c4ccc(O)c(F)c4)cc3)c(F)c2F)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ANPEP P15144 1/20 0.37
▸ APP P05067 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ MCL1 Q07820 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ RARB P10826 1/20 0.34
▸ CYP17A1 P05093 1/20 0.33
▸ AKR1C3 P42330 1/20 0.33
▸ AKR1C2 P52895 1/20 0.33
▸ GRIN1 Q05586 3/20 0.33
▸ GRIN2B Q13224 3/20 0.33
▸ SHBG P04278 1/20 0.33
▸ HDAC3 O15379 1/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ HDAC2 Q92769 1/20 0.32
▸ HDAC8 Q9BY41 1/20 0.32
▸ HDAC6 Q9UBN7 1/20 0.32
▸ TTR P02766 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
SCHEMBL12823950 0.94 PRSS1 (0.36) ANPEPAPPCYP2C19MCL1KDM4E
SCHEMBL12823514 0.87 CYP17A1 (0.38) ANPEPAPPCYP2C19MCL1KDM4E
SCHEMBL13586362 0.87 FAAH (0.38) TAS1R3TAS1R1
SCHEMBL12822961 0.85 KDM4E (0.39) ANPEPAPPCYP2C19KDM4ELMNA
SCHEMBL12823900 0.84 APP (0.32) APPCYP2C19RARBAKR1C3AKR1C2
SCHEMBL12822649 0.83 MAPT (0.33) APPCYP2C19MCL1AKR1C3AKR1C2
SCHEMBL12822869 0.83 MAPT (0.33) APPCYP2C19MCL1AKR1C3AKR1C2
SCHEMBL12823097 0.82 THRA (0.33) APPCYP2C19TAS1R3TAS1R1
SCHEMBL12823114 0.82 MAPT (0.41) APPCYP2C19MCL1RARBAKR1C3
SCHEMBL12823475 0.81 EGFR (0.32) RARBTAS1R3TAS1R1ALDH1A1

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 ANPEP 4822/4885APP 2200/4885CYP2C19 2333/4885

“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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