SCHEMBL19768429

SCHEMBL19768429

c1cc(-c2ccc3ccc4ccc(-c5ccc(-c6cc7ccccc7c7ccccc67)cc5)nc4c3n2)cc(-c2nc3ccccc3o2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 10/20 0.44
▸ NPC1 O15118 9/20 0.44
▸ HPGD P15428 9/20 0.44
▸ HSD17B10 Q99714 8/20 0.44
▸ TP53 P04637 7/20 0.44
▸ RAB9A P51151 7/20 0.44
▸ MAPT P10636 7/20 0.44
▸ MEN1 O00255 5/20 0.44
▸ KMT2A Q03164 5/20 0.44
▸ PKM P14618 3/20 0.44
▸ HCRTR1 O43613 3/20 0.44
▸ KDM4E B2RXH2 11/20 0.42
▸ SMN1; SMN2 Q16637 7/20 0.42
▸ USP2 O75604 3/20 0.41
▸ TSHR P16473 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ CASP3 P42574 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ SENP8 Q96LD8 1/20 0.41
▸ SENP7 Q9BQF6 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
SCHEMBL19768432 0.90 TP53 (0.46) ALDH1A1NPC1HPGDHSD17B10TP53
SCHEMBL19777731 0.82 TP53 (0.34) ALDH1A1NPC1HPGDHSD17B10TP53
SCHEMBL21103658 0.81 CYP11B1 (0.47) ALDH1A1HPGDRAB9AMAPTMEN1
SCHEMBL19768430 0.81 NPC1 (0.42) ALDH1A1NPC1HPGDHSD17B10TP53
SCHEMBL19618597 0.81 NPC1 (0.44) ALDH1A1NPC1HPGDHSD17B10TP53
SCHEMBL19768466 0.81 ESR1 (0.43) ALDH1A1NPC1HPGDRAB9AMAPT
SCHEMBL19768203 0.81 ALDH1A1 (0.49) ALDH1A1NPC1HPGDHSD17B10TP53
SCHEMBL23606972 0.80 TP53 (0.48) ALDH1A1NPC1HPGDHSD17B10TP53
SCHEMBL19618446 0.80 ALDH1A1 (0.47) ALDH1A1NPC1HPGDHSD17B10TP53
SCHEMBL21103886 0.80 CYP11B1 (0.50) ALDH1A1HPGDHSD17B10RAB9AMAPT

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