SCHEMBL12823097

SCHEMBL12823097

C=CCCOc1ccc(C(=O)Oc2ccc(-c3ccc(-c4ccc(C(O)CCC)cc4)c(F)c3F)cc2)cc1F

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ THRA P10827 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ TAS1R3 Q7RTX0 1/20 0.33
▸ TAS1R1 Q7RTX1 1/20 0.33
▸ FAAH O00519 1/20 0.33
▸ PPARD Q03181 2/20 0.33
▸ ADRB1 P08588 1/20 0.31
▸ ADRB3 P13945 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ PTPN11 Q06124 1/20 0.31
▸ ROCK2 O75116 1/20 0.30
▸ ROCK1 Q13464 1/20 0.30
▸ ACACB O00763 1/20 0.30
▸ S1PR1 P21453 1/20 0.30
▸ APP P05067 1/20 0.30
▸ CYP2C19 P33261 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
SCHEMBL12719403 0.96 ALDH1A1 (0.35) THRATHRBTAS1R3TAS1R1FAAH
SCHEMBL12823955 0.95 FAAH (0.33) THRATHRBTAS1R3TAS1R1FAAH
SCHEMBL12823956 0.91 ALDH1A1 (0.35) THRATHRBTAS1R3TAS1R1FAAH
SCHEMBL12823727 0.90 FAAH (0.36) TAS1R3TAS1R1FAAHPPARDADRB1
SCHEMBL12823903 0.90 APP (0.34) THRATHRBFAAHPPARDMAPT
SCHEMBL12822310 0.89 ADRB3 (0.37) THRBFAAHADRB1ADRB3MAPT
SCHEMBL12823476 0.89 FAAH (0.35) THRATHRBTAS1R3TAS1R1FAAH
SCHEMBL13586362 0.89 FAAH (0.38) THRBTAS1R3TAS1R1FAAHPPARD
SCHEMBL14767083 0.88 PRSS1 (0.41) THRATHRBFAAHPPARDMAPT
SCHEMBL12823944 0.87 KDM4E (0.31) ADRB1ADRB3MAPT

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 2 patents. 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
WO-2009150966-A1 TETRACYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT チッソ株式会社 (JP) 2009-12-17 — — WO 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 THRA 1972/4885THRB 2847/4885TAS1R3 525/4885

“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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