SCHEMBL18459380

SCHEMBL18459380

C=CC(=O)Oc1ccc(-c2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 7/20 0.65
▸ TGM2 P21980 1/20 0.47
▸ THRB P10828 2/20 0.46
▸ TEAD1 P28347 1/20 0.45
▸ PPARD Q03181 1/20 0.43
▸ PPARA Q07869 1/20 0.43
▸ CYP11B1 P15538 1/20 0.43
▸ CYP11B2 P19099 1/20 0.43
▸ PRSS1 P07477 1/20 0.42
▸ ACR P10323 1/20 0.42
▸ GSTO1 P78417 1/20 0.42
▸ CES2 O00748 1/20 0.41
▸ CES1 P23141 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ BACE1 P56817 1/20 0.40

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
SCHEMBL12085342 0.95 KIF11 (0.56) KIF11TGM2THRBTEAD1CYP11B1
Hydrochloric Acid SCHEMBL27901791 0.93 KIF11 (0.54) KIF11TGM2THRBTEAD1CYP11B1
SCHEMBL18459326 0.89 KIF11 (0.53) KIF11TGM2TEAD1PPARDPPARA
SCHEMBL16978248 0.85 KIF11 (0.47) KIF11TGM2THRBTEAD1PPARD
SCHEMBL18118993 0.85 KIF11 (0.47) KIF11TGM2THRBTEAD1PPARD
SCHEMBL802752 0.85 THRB (0.58) KIF11TGM2THRBALDH1A1
SCHEMBL15695636 0.85 THRB (0.58) KIF11TGM2THRBALDH1A1
SCHEMBL29087761 0.82 KIF11 (0.46) KIF11TGM2PPARDPPARACYP11B1
SCHEMBL15700285 0.81 THRB (0.51) KIF11TGM2THRBTEAD1CYP11B1
SCHEMBL10858115 0.81 THRB (0.47) KIF11TGM2THRBTEAD1CYP11B1

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-20170029698-A1 ANTIOXIDANT FOR LIQUID CRYSTAL COMPOSITION, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE USING LIQUID CRYSTAL COMPOSITION DIC CORPORATION (JP) 2017-02-02 — — 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-20170029698-A1 ANTIOXIDANT FOR LIQUID CRYSTAL COMPOSITION, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE USING LIQUID CRYSTAL COMPOSITION GPX1, LPO, SCO2 KIF11 3611/4885TGM2 806/4885THRB 3669/4885

“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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