SCHEMBL19009772

SCHEMBL19009772

O=P(c1ccccc1)(c1ccccc1)c1cc2c(-c3ccccc3)nc3c4ccccc4c4ccccc4c3c2c2ncccc12

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 2/20 0.35
KCNA5 P22460 5/20 0.33
KCNN4 O15554 4/20 0.33
ALDH1A1 P00352 1/20 0.33
PDE4A P27815 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
DHODH Q02127 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
CASP1 P29466 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HSD17B10 Q99714 1/20 0.31
PTGER1 P34995 1/20 0.30
TOP2A P11388 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
SCHEMBL19009761 0.89 TOP1 (0.38) TOP1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL19009796 0.82 CYP11B1 (0.35) TOP1KCNA5KCNN4DHODH
SCHEMBL19009797 0.80 KCNN4 (0.30) TOP1KCNA5KCNN4
SCHEMBL19009795 0.79 TOP1 (0.35) TOP1
SCHEMBL19009753 0.78 TOP1 (0.34) TOP1ALDH1A1DHODHKDM4EMEN1
SCHEMBL19009841 0.77 TOP1 (0.39) TOP1ALDH1A1DHODHKDM4EMEN1
SCHEMBL19009794 0.77 KDM4E (0.32) TOP1ALDH1A1DHODHKDM4EHSD17B10
SCHEMBL19009831 0.77 TOP1 (0.36) TOP1ALDH1A1DHODHKDM4EMEN1
SCHEMBL17035150 0.76 NUDT1 (0.40) TOP1ALDH1A1DHODHKDM4EMEN1
SCHEMBL19009775 0.76 TOP1 (0.36) TOP1ALDH1A1DHODHKDM4EMEN1

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-20170179407-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2017-06-22 US disclosed
US-20170179407-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2017-06-22 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-20170179407-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, CRY2, CCNT1 TOP1 898/4885KCNA5 2420/4885KCNN4 2775/4885

“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.