SCHEMBL19768464

SCHEMBL19768464

c1cc(-c2ccc3ccc4ccccc4c3n2)cc(-c2ccc3ccc4ccc(-c5ccc(-c6cccc7ccccc67)cc5)nc4c3n2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 2/20 0.47
ENPP3 O14638 1/20 0.47
CA12 O43570 3/20 0.43
CA1 P00915 3/20 0.43
CA2 P00918 3/20 0.43
CA9 Q16790 3/20 0.43
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
PARP1 P09874 1/20 0.41
PIM1 P11309 2/20 0.40
TNF P01375 1/20 0.40
PIM2 Q9P1W9 1/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
HPGD P15428 2/20 0.38
MCL1 Q07820 1/20 0.38
ACMSD Q8TDX5 1/20 0.38
TP53 P04637 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL21103645 0.93 CA12 (0.48) ENPP1ENPP3CA12CA1CA2
SCHEMBL21103889 0.91 PARP1 (0.47) ENPP1ENPP3CA12CA1CA2
SCHEMBL20250378 0.91 ENPP1 (0.51) ENPP1ENPP3CA12CA1CA2
SCHEMBL19768310 0.90 NPC1 (0.48) ENPP1ENPP3CA12CA1CA2
SCHEMBL20250436 0.89 ENPP1 (0.50) ENPP1ENPP3CA12CA1CA2
SCHEMBL19768369 0.89 ALDH1A1 (0.46) ENPP1ENPP3CA12CA1CA2
SCHEMBL19768382 0.89 ENPP3 (0.43) ENPP1ENPP3CA12CA1CA2
SCHEMBL21103676 0.89 CA12 (0.44) ENPP1ENPP3CA12CA1CA2
SCHEMBL21103677 0.88 PARP1 (0.44) ENPP1ENPP3CA12CA1CA2
SCHEMBL10032405 0.88 CA12 (0.43) ENPP1ENPP3CA12CA1CA2

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 ENPP1 1393/4885ENPP3 1299/4885CA12 2140/4885

“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.