SCHEMBL12823717

SCHEMBL12823717

CCCC(O)c1ccc(-c2ccc(-c3ccc(C(=O)Oc4ccc(O)cc4F)cc3)c(F)c2F)cc1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TAS1R3 Q7RTX0 1/20 0.36
▸ TAS1R1 Q7RTX1 1/20 0.36
▸ APP P05067 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ ESR1 P03372 3/20 0.34
▸ RARB P10826 1/20 0.34
▸ PRSS1 P07477 5/20 0.33
▸ TMPRSS15 P98073 5/20 0.33
▸ HDAC3 O15379 2/20 0.33
▸ HDAC1 Q13547 2/20 0.33
▸ HDAC2 Q92769 2/20 0.33
▸ HDAC8 Q9BY41 2/20 0.33
▸ HDAC6 Q9UBN7 2/20 0.33
▸ HSD17B1 P14061 1/20 0.33
▸ FAAH O00519 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
SCHEMBL12823485 0.94 APP (0.39) TAS1R3TAS1R1APPCYP3A4CYP2C9
SCHEMBL12823722 0.87 MAPT (0.40) TAS1R3TAS1R1FAAH
SCHEMBL12823697 0.85 EGFR (0.32) TAS1R3TAS1R1RARB
SCHEMBL12823475 0.85 EGFR (0.32) TAS1R3TAS1R1RARB
SCHEMBL12822961 0.85 KDM4E (0.39) TAS1R3TAS1R1APPCYP3A4CYP2C9
SCHEMBL12821297 0.85 FAAH (0.42) TAS1R3TAS1R1FAAH
SCHEMBL12822091 0.84 FAAH (0.36) TAS1R3TAS1R1FAAH
SCHEMBL12823598 0.84 FFAR1 (0.36) APPCYP3A4CYP2C9CYP2C19ESR1
SCHEMBL12823727 0.82 FAAH (0.36) TAS1R3TAS1R1FAAH
SCHEMBL12823114 0.82 MAPT (0.41) TAS1R3TAS1R1APPCYP3A4CYP2C9

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 TAS1R3 525/4885TAS1R1 597/4885APP 2200/4885

“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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