SCHEMBL23917896

SCHEMBL23917896

Nc1ccc(OC(=O)c2ccc3c(c2)C(=O)N(c2ccc(C(c4ccc(N5C(=O)c6ccc(C(=O)Oc7ccc(N)cc7)cc6C5=O)cc4)(C(F)(F)F)C(F)(F)F)cc2)C3=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.47
▸ CA9 Q16790 6/20 0.45
▸ CA1 P00915 5/20 0.45
▸ CA2 P00918 3/20 0.45
▸ CA4 P22748 3/20 0.45
▸ CA12 O43570 2/20 0.44
▸ FNTA P49354 1/20 0.44
▸ FNTB P49356 1/20 0.44
▸ MET P08581 1/20 0.43
▸ POLB P06746 1/20 0.42
▸ HSD17B10 Q99714 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ CASP1 P29466 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ CASP7 P55210 1/20 0.41
▸ PTGES O14684 1/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41

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
SCHEMBL23917922 0.88 ALDH1A1 (0.44) ALDH1A1CA9CA1CA2CA4
SCHEMBL23917924 0.85 CA9 (0.43) ALDH1A1CA9CA1CA2CA4
SCHEMBL23917902 0.85 ALDH1A1 (0.54) ALDH1A1CA9CA1CA2CA4
SCHEMBL23917895 0.85 CA9 (0.41) ALDH1A1CA9CA1CA2CA4
SCHEMBL23917893 0.84 ALDH1A1 (0.46) ALDH1A1CA9CA1CA2CA4
SCHEMBL23917894 0.82 ALDH1A1 (0.51) ALDH1A1CA9CA1CA2CA4
SCHEMBL23917900 0.82 ALDH1A1 (0.51) ALDH1A1CA9CA1CA2CA4
SCHEMBL9720149 0.81 ALDH1A1 (0.48) ALDH1A1CA9CA1CA2CA12
SCHEMBL24236780 0.78 MEN1 (0.53) ALDH1A1CA9CA1CA2CA12
SCHEMBL13600160 0.77 FNTA (0.46) ALDH1A1CA9CA1CA2CA4

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-20210317082-A1 DIAMINE COMPOUND, POLYIMIDE PRECURSOR USING SAME, AND POLYIMIDE FILM LG CHEM, LTD. (KR) 2021-10-14 — — 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-20210317082-A1 DIAMINE COMPOUND, POLYIMIDE PRECURSOR USING SAME, AND POLYIMIDE FILM DDC, ODC1, PUF60 ALDH1A1 2250/4885CA9 1353/4885CA1 823/4885

“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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