SCHEMBL19768432

SCHEMBL19768432

c1cc(-c2ccc3ccc4ccc(-c5ccc(-c6cccc7ccccc67)cc5)nc4c3n2)cc(-c2nc3ccccc3o2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 6/20 0.46
▸ ALDH1A1 P00352 10/20 0.45
▸ HPGD P15428 9/20 0.45
▸ NPC1 O15118 9/20 0.45
▸ HSD17B10 Q99714 7/20 0.45
▸ RAB9A P51151 7/20 0.45
▸ MEN1 O00255 6/20 0.45
▸ KMT2A Q03164 6/20 0.45
▸ MAPT P10636 5/20 0.45
▸ HCRTR1 O43613 3/20 0.45
▸ PKM P14618 2/20 0.45
▸ ESR1 P03372 1/20 0.44
▸ ESR2 Q92731 1/20 0.44
▸ KDM4E B2RXH2 9/20 0.43
▸ SMN1; SMN2 Q16637 6/20 0.43
▸ USP2 O75604 2/20 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

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
SCHEMBL19768429 0.90 ALDH1A1 (0.44) TP53ALDH1A1HPGDNPC1HSD17B10
SCHEMBL19768203 0.89 ALDH1A1 (0.49) TP53ALDH1A1HPGDNPC1HSD17B10
SCHEMBL19768430 0.86 NPC1 (0.42) TP53ALDH1A1HPGDNPC1HSD17B10
SCHEMBL18100865 0.84 ALDH1A1 (0.45) TP53ALDH1A1HPGDNPC1HSD17B10
SCHEMBL19768310 0.83 NPC1 (0.48) TP53ALDH1A1HPGDNPC1HSD17B10
SCHEMBL27286702 0.82 NPC1 (0.51) TP53ALDH1A1HPGDNPC1HSD17B10
SCHEMBL19768464 0.82 ENPP1 (0.47) TP53ALDH1A1HPGDHSD17B10MAPT
SCHEMBL28681367 0.82 NPC1 (0.59) TP53ALDH1A1HPGDNPC1HSD17B10
SCHEMBL19768434 0.81 NPC1 (0.46) TP53ALDH1A1HPGDNPC1HSD17B10
SCHEMBL21103645 0.81 CA12 (0.48) TP53ALDH1A1HPGDHSD17B10RAB9A

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 TP53 3455/4885ALDH1A1 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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