SCHEMBL21082656

SCHEMBL21082656

Nc1ccc(Oc2ccc(N3C(=O)c4ccc(C(=O)OCCOC(=O)c5ccc6c(c5)C(=O)N(c5ccc(Oc7ccc(N)cc7)cc5)C6=O)cc4C3=O)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGES O14684 1/20 0.60
▸ ALDH1A1 P00352 6/20 0.59
▸ MET P08581 1/20 0.54
▸ CA1 P00915 3/20 0.49
▸ CA2 P00918 3/20 0.49
▸ CA9 Q16790 3/20 0.49
▸ CA4 P22748 2/20 0.49
▸ POLB P06746 1/20 0.48
▸ MAPT P10636 3/20 0.48
▸ LMNA P02545 2/20 0.48
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ BRD4 O60885 1/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ CASP1 P29466 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ CASP7 P55210 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ MAPK1 P28482 1/20 0.46

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
SCHEMBL23917902 0.88 ALDH1A1 (0.54) PTGESALDH1A1METCA1CA2
SCHEMBL28802040 0.85 PARP10 (0.56) PTGESALDH1A1CA1CA2CA9
SCHEMBL17384135 0.81 ALDH1A1 (0.68) PTGESALDH1A1METCA1CA2
SCHEMBL21082653 0.80 BRD4 (0.62) ALDH1A1POLBMAPTMEN1KMT2A
SCHEMBL29728135 0.80 MEN1 (0.67) ALDH1A1CA1CA2CA9CA4
SCHEMBL24236726 0.80 MEN1 (0.67) ALDH1A1CA1CA2CA9CA4
SCHEMBL23917894 0.80 ALDH1A1 (0.51) PTGESALDH1A1METCA1CA2
SCHEMBL16644575 0.80 ALDH1A1 (0.67) PTGESALDH1A1METCA1CA2
SCHEMBL18998860 0.79 ALDH1A1 (0.65) PTGESALDH1A1METCA1CA2
SCHEMBL23917918 0.79 ALDH1A1 (0.50) PTGESALDH1A1METCA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10927215-B2 Polymerizable composition LG CHEM, LTD. 2021-02-23 — — US disclosed
US-20190169364-A1 Polymerizable Composition LG CHEM, LTD. (KR) 2019-06-06 — — 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-10927215-B2 Polymerizable composition PNN, PCBP1, ARCN1 PTGES 1541/4885ALDH1A1 2415/4885MET 4842/4885

“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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