SCHEMBL18459326

SCHEMBL18459326

C=CC(=O)Oc1ccc2cc(-c3ccc(C(F)(F)F)cc3)ccc2c1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 5/20 0.53
▸ SLC6A2 P23975 1/20 0.44
▸ P2RY14 Q15391 1/20 0.44
▸ TGM2 P21980 1/20 0.42
▸ PPARD Q03181 1/20 0.41
▸ PPARA Q07869 1/20 0.41
▸ GSTO1 P78417 1/20 0.40
▸ TEAD1 P28347 1/20 0.40
▸ PLG P00747 1/20 0.40
▸ PLAU P00749 1/20 0.40
▸ PLAT P00750 1/20 0.40
▸ CYP1A1 P04798 1/20 0.39
▸ CYP1B1 Q16678 1/20 0.39
▸ BACE1 P56817 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ PTPN1 P18031 1/20 0.39

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
SCHEMBL18459380 0.89 KIF11 (0.65) KIF11TGM2PPARDPPARAGSTO1
SCHEMBL16921474 0.86 THRB (0.49) —
SCHEMBL12085342 0.84 KIF11 (0.56) KIF11TGM2TEAD1CYP1A1CYP1B1
Hydrochloric Acid SCHEMBL27901791 0.82 KIF11 (0.54) KIF11TGM2TEAD1CYP1A1CYP1B1
SCHEMBL18459325 0.82 KIF11 (0.49) KIF11SLC6A2P2RY14PPARDPPARA
SCHEMBL19524158 0.81 ESR1 (0.49) —
SCHEMBL29087761 0.79 KIF11 (0.46) KIF11TGM2PPARDPPARAGSTO1
SCHEMBL819722 0.79 THRB (0.53) —
SCHEMBL2124788 0.78 PLG (0.44) PLGPLAUPLAT
SCHEMBL16977639 0.78 MAPT (0.51) PLG

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 3611/4885SLC6A2 2770/4885P2RY14 4721/4885

“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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