SCHEMBL14449367

SCHEMBL14449367

Cc1ccc2c(c1)OC(F)(F)C(C)(F)C2

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.33
▸ ATM Q13315 2/20 0.33
▸ RAD52 P43351 1/20 0.33
▸ HTR5A P47898 2/20 0.33
▸ MMP12 P39900 1/20 0.33
▸ HTT P42858 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ GAA P10253 2/20 0.32
▸ F2 P00734 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ MAPT P10636 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ CNR2 P34972 1/20 0.31
▸ HTR2C P28335 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
SCHEMBL12233255 0.82 KDM4E (0.35) KDM4EATMRAD52HTR5AMMP12
SCHEMBL12301085 0.80 KDM4E (0.36) KDM4EATMRAD52HTR5AMMP12
SCHEMBL12180466 0.78 KDM4E (0.38) KDM4EATMRAD52HTTALDH1A1
SCHEMBL17193802 0.75 KDM4E (0.34) KDM4EATMRAD52HTR5AMMP12
SCHEMBL18469509 0.72 KDM4E (0.33) KDM4EATMRAD52HTTALDH1A1
SCHEMBL14449366 0.72 HTR2B (0.37) KDM4EATMRAD52MMP12ALDH1A1
SCHEMBL12301083 0.72 KDM4E (0.46) KDM4EATMRAD52HTTALDH1A1
SCHEMBL423132 0.71 KIF11 (0.40) KDM4EATMRAD52MMP12HTT
SCHEMBL14449389 0.71 TSHR (0.30) —
SCHEMBL21399749 0.71 MMP12 (0.33) KDM4EATMRAD52MMP12HTT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140155431-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-06-05 — — US disclosed
US-7247355-B2 Liquid crystal compound having chroman ring, liquid crystal composition comprising the compound and liquid crystal display device comprising the composition CHISSO CORPORATION (JP) 2007-07-24 — — US disclosed
US-7247355-B2 Liquid crystal compound having chroman ring, liquid crystal composition comprising the compound and liquid crystal display device comprising the composition CHISSO CORPORATION (JP) 2007-07-24 — — 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-20140155431-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 KDM4E 4262/4885ATM 3021/4885RAD52 4217/4885

“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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