SCHEMBL19777740

SCHEMBL19777740

c1cc(-c2ccc3c(c2)-c2cccc4cccc-3c24)cc(-c2ccc3cc(-c4ccc5c(c4)-c4ccc(-c6ccc(-c7ccc8ccc9ccc(-c%10ccc(-c%11ccc%12ccc%13ccccc%13c%12n%11)cc%10)nc9c8n7)cc6)c6cccc-5c46)c4ccc(-c5ccc(-c6ccc7ccc8ccccc8c7n6)cc5)nc4c3n2)c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.33
▸ HPGD P15428 3/20 0.33
▸ TSHR P16473 2/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ CASP1 P29466 2/20 0.33
▸ HIF1A Q16665 2/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ CASP7 P55210 1/20 0.33
▸ ENPP3 O14638 1/20 0.32
▸ ENPP1 P22413 1/20 0.32
▸ CA12 O43570 1/20 0.31
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ CA9 Q16790 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ PARP1 P09874 1/20 0.30
▸ PIM1 P11309 1/20 0.30

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
SCHEMBL19768469 0.89 ALDH1A1 (0.38) ALDH1A1HPGDTSHRMAPK1CASP1
SCHEMBL19777603 0.87 PIK3CA (0.36) ALDH1A1HPGDKDM4EMAPT
SCHEMBL19768252 0.85 ALDH1A1 (0.41) ALDH1A1HPGDTSHRMAPK1CASP1
SCHEMBL19768445 0.83 CYP1A2 (0.39) ALDH1A1HPGDHSD17B10ENPP3ENPP1
SCHEMBL19768495 0.83 ENPP1 (0.43) ALDH1A1HPGDTSHRMAPK1CASP1
SCHEMBL19777825 0.82 PIM1 (0.41) ALDH1A1ENPP3ENPP1CA12CA1
SCHEMBL21103666 0.82 PARP1 (0.38) ALDH1A1HPGDTSHRMAPK1CASP1
SCHEMBL17899308 0.82 PARP1 (0.40) ALDH1A1HPGDTSHRMAPK1CASP1
SCHEMBL20250446 0.81 PARP1 (0.39) ALDH1A1HPGDTSHRMAPK1CASP1
SCHEMBL19768247 0.81 ALDH1A1 (0.41) ALDH1A1HPGDTSHRMAPK1CASP1

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 ALDH1A1 1297/4885HPGD 515/4885TSHR 4313/4885

“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.

Send feedback