SCHEMBL19009825

SCHEMBL19009825

O=P(c1ccccc1)(c1ccccc1)c1cccc(-c2cc3nc(-c4ccccc4)c4c5ccccc5c5ccccc5c4c3c3ncccc23)c1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 8/20 0.36
PIK3CD O00329 1/20 0.35
TOP2A P11388 1/20 0.34
KCNN4 O15554 2/20 0.32
KCNA5 P22460 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GLO1 Q04760 2/20 0.31
CKS1B P61024 1/20 0.31
SKP2 Q13309 1/20 0.31
DHODH Q02127 1/20 0.31
PDE4A P27815 1/20 0.31

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
SCHEMBL19009799 0.89 TOP1 (0.35) TOP1TOP2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL19009816 0.86 TOP2A (0.33) TOP1TOP2AKCNN4KCNA5KDM4E
SCHEMBL19009826 0.84 TOP1 (0.42) TOP1TOP2AKCNN4KCNA5DHODH
SCHEMBL19009815 0.83 CSNK2A2 (0.39) TOP2ADHODH
SCHEMBL19009800 0.81 TOP1 (0.38) TOP1DHODH
SCHEMBL19051766 0.80 TOP1 (0.40) TOP1TOP2AKCNN4KCNA5KDM4E
SCHEMBL19009837 0.80 TOP2A (0.34) TOP1TOP2AKCNN4KCNA5
SCHEMBL19009823 0.79 CYP11B1 (0.35) TOP1TOP2AKCNN4KCNA5ALDH1A1
SCHEMBL19051809 0.79 TOP1 (0.35) TOP1KCNN4KCNA5KDM4EALDH1A1
SCHEMBL19051799 0.78 TOP1 (0.35) TOP1TOP2AKCNN4KCNA5KDM4E

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 898/4885PIK3CD 4428/4885TOP2A 2161/4885

“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.