SCHEMBL19768430

SCHEMBL19768430

c1cc(-c2ccc3ccc4ccc(-c5ccc(-c6nc7ccccc7o6)cc5)nc4c3n2)cc(-c2ccc3c4c(cccc24)-c2ccccc2-3)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 7/20 0.42
▸ ALDH1A1 P00352 7/20 0.42
▸ HPGD P15428 6/20 0.42
▸ HSD17B10 Q99714 5/20 0.42
▸ KDM4E B2RXH2 5/20 0.42
▸ TP53 P04637 4/20 0.42
▸ SMN1; SMN2 Q16637 4/20 0.42
▸ RAB9A P51151 5/20 0.41
▸ MEN1 O00255 5/20 0.41
▸ KMT2A Q03164 5/20 0.41
▸ ATM Q13315 1/20 0.41
▸ MAPT P10636 3/20 0.40
▸ HCRTR1 O43613 2/20 0.40
▸ PKM P14618 2/20 0.40
▸ PTGS2 P35354 2/20 0.39
▸ GPR119 Q8TDV5 1/20 0.38
▸ USP2 O75604 2/20 0.38
▸ MMP2 P08253 1/20 0.38
▸ MMP9 P14780 1/20 0.38
▸ MMP8 P22894 1/20 0.38

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
SCHEMBL19768211 0.91 NPC1 (0.45) NPC1ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL19768432 0.86 TP53 (0.46) NPC1ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL19777731 0.86 TP53 (0.34) NPC1ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL17692166 0.85 TP53 (0.53) NPC1ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL22617972 0.83 TP53 (0.49) NPC1ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL21103933 0.83 PARP1 (0.40) ALDH1A1HPGDHSD17B10KDM4ERAB9A
SCHEMBL17899312 0.83 ALDH1A1 (0.41) ALDH1A1HPGDHSD17B10KDM4ESMN1; SMN2
SCHEMBL19768434 0.83 NPC1 (0.46) NPC1ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL21103892 0.82 PARP1 (0.40) ALDH1A1HPGDHSD17B10KDM4ERAB9A
SCHEMBL17899308 0.82 PARP1 (0.40) ALDH1A1HPGDHSD17B10KDM4ERAB9A

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-20180019407-A1 PHENANTHROLINE DERIVATIVE, ELECTRONIC DEVICE CONTAINING SAME, LIGHT EMITTING ELEMENT, AND PHOTOELECTRIC CONVERSION ELEMENT TORAY INDUSTRIES, INC (JP) 2018-01-18 — — 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-20180019407-A1 PHENANTHROLINE DERIVATIVE, ELECTRONIC DEVICE CONTAINING SAME, LIGHT EMITTING ELEMENT, AND PHOTOELECTRIC CONVERSION ELEMENT SUN2, PAH, FARS2 NPC1 4176/4885ALDH1A1 1297/4885HPGD 515/4885

“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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