SCHEMBL23917903

SCHEMBL23917903

Nc1ccc(OC(=O)c2ccc3c(c2)C(=O)N(c2ccc(Oc4ccc(N5C(=O)c6ccc(C(=O)Oc7ccc(N)cn7)cc6C5=O)cc4)cc2)C3=O)nc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGES O14684 1/20 0.48
▸ ALDH1A1 P00352 5/20 0.47
▸ CA1 P00915 2/20 0.45
▸ CA2 P00918 2/20 0.45
▸ CA4 P22748 2/20 0.45
▸ CA9 Q16790 2/20 0.45
▸ POLB P06746 1/20 0.44
▸ MET P08581 1/20 0.43
▸ BRD4 O60885 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 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
▸ HSD17B10 Q99714 1/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ LPAR1 Q92633 1/20 0.41
▸ LPAR5 Q9H1C0 1/20 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
SCHEMBL23917901 0.88 CA1 (0.44) PTGESALDH1A1CA1CA2CA4
SCHEMBL23917892 0.88 CA1 (0.44) PTGESALDH1A1CA1CA2CA4
SCHEMBL23917918 0.88 ALDH1A1 (0.50) PTGESALDH1A1CA1CA2CA4
SCHEMBL23917902 0.85 ALDH1A1 (0.54) PTGESALDH1A1CA1CA2CA4
SCHEMBL23917895 0.85 CA9 (0.41) PTGESALDH1A1CA1CA2CA4
SCHEMBL23918049 0.84 CA1 (0.40) ALDH1A1CA1CA2CA4CA9
SCHEMBL23917915 0.84 ALDH1A1 (0.50) PTGESALDH1A1CA1CA2CA4
SCHEMBL21082656 0.79 PTGES (0.60) PTGESALDH1A1CA1CA2CA4
SCHEMBL28802040 0.78 PARP10 (0.56) PTGESALDH1A1CA1CA2CA4
SCHEMBL23917919 0.76 CA1 (0.47) PTGESALDH1A1CA1CA2CA4

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 PTGES 3535/4885ALDH1A1 2250/4885CA1 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.

Send feedback