SCHEMBL19777731

SCHEMBL19777731

c1cc(-c2ccc3ccc4ccc(-c5ccc(-c6cc7ccc(-c8cc9ccc(-c%10ccc(-c%11ccc%12cc(-c%13cc%14ccc(-c%15cccc(-c%16ccc%17c%18c(cccc%16%18)-c%16ccccc%16-%17)c%15)nc%14c%14nc(-c%15ccc(-c%16nc%17ccccc%17o%16)cc%15)ccc%13%14)c%13cccc%14ccc%11c%12c%14%13)cc%10)nc9c9nc(-c%10ccc(-c%11nc%12ccccc%12o%11)cc%10)ccc89)cc7c7ccccc67)cc5)nc4c3n2)cc(-c2nc3ccccc3o2)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 6/20 0.34
▸ NPC1 O15118 8/20 0.33
▸ ALDH1A1 P00352 7/20 0.33
▸ HSD17B10 Q99714 7/20 0.33
▸ KDM4E B2RXH2 7/20 0.33
▸ RAB9A P51151 6/20 0.33
▸ HPGD P15428 6/20 0.33
▸ SMN1; SMN2 Q16637 5/20 0.33
▸ MAPT P10636 3/20 0.33
▸ HCRTR1 O43613 2/20 0.33
▸ USP2 O75604 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ CASP3 P42574 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ SENP8 Q96LD8 1/20 0.33
▸ SENP7 Q9BQF6 1/20 0.33
▸ SENP6 Q9GZR1 1/20 0.33
▸ MEN1 O00255 5/20 0.32
▸ KMT2A Q03164 5/20 0.32

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
SCHEMBL19768430 0.86 NPC1 (0.42) TP53NPC1ALDH1A1HSD17B10KDM4E
SCHEMBL19768429 0.82 ALDH1A1 (0.44) TP53NPC1ALDH1A1HSD17B10KDM4E
SCHEMBL19768434 0.80 NPC1 (0.46) TP53NPC1ALDH1A1HSD17B10KDM4E
SCHEMBL19768432 0.80 TP53 (0.46) TP53NPC1ALDH1A1HSD17B10KDM4E
SCHEMBL19768211 0.79 NPC1 (0.45) TP53NPC1ALDH1A1HSD17B10KDM4E
SCHEMBL19768210 0.77 NPC1 (0.46) TP53NPC1ALDH1A1HSD17B10KDM4E
SCHEMBL19777740 0.76 ALDH1A1 (0.33) TP53ALDH1A1HSD17B10KDM4EHPGD
SCHEMBL17692166 0.75 TP53 (0.53) TP53NPC1ALDH1A1HSD17B10KDM4E
SCHEMBL19777739 0.75 MAPT (0.36) TP53NPC1ALDH1A1HSD17B10KDM4E
SCHEMBL19777744 0.75 ACACA (0.34) ALDH1A1KDM4EHPGDMAPTMAPK1

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 3455/4885NPC1 4176/4885ALDH1A1 1297/4885

“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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