SCHEMBL12822869

SCHEMBL12822869

CCCC(O)c1ccc(-c2ccc(-c3ccc(OC(=O)c4ccc(O)c(F)c4F)cc3)c(F)c2F)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ MCL1 Q07820 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ CASP3 P42574 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SENP8 Q96LD8 1/20 0.33
▸ SENP7 Q9BQF6 1/20 0.33
▸ SENP6 Q9GZR1 1/20 0.33
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ APP P05067 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ TAS1R3 Q7RTX0 1/20 0.32
▸ TAS1R1 Q7RTX1 1/20 0.32
▸ POLB P06746 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ XBP1 P17861 1/20 0.31
▸ ADRB1 P08588 1/20 0.31
▸ ADRB3 P13945 1/20 0.31

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
SCHEMBL12822649 1.00 MAPT (0.33) MAPTSMN1; SMN2MCL1NPC1CASP3
SCHEMBL12823514 0.91 CYP17A1 (0.38) MAPTSMN1; SMN2MCL1NPC1CASP3
SCHEMBL12821782 0.88 NPC1 (0.40) MAPTSMN1; SMN2NPC1CASP3RAB9A
SCHEMBL12823121 0.88 MEN1 (0.37) MAPTMEN1KMT2AHPGDXBP1
SCHEMBL12823199 0.88 MEN1 (0.37) MAPTMEN1KMT2AHPGDXBP1
SCHEMBL12823114 0.85 MAPT (0.41) MAPTSMN1; SMN2MCL1NPC1CASP3
SCHEMBL12823401 0.85 PTGS2 (0.42) MAPTMEN1KMT2AAPPCYP2C19
SCHEMBL12716550 0.84 CYP17A1 (0.33) MAPTMEN1KMT2AAPPCYP2C19
SCHEMBL13586617 0.83 PTPN7 (0.30) —
SCHEMBL12823113 0.83 ANPEP (0.37) MCL1APPCYP2C19TAS1R3TAS1R1

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 MAPT 1075/4885SMN1; SMN2 3745/4885MCL1 2702/4885

“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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