SCHEMBL19009866

SCHEMBL19009866

O=P(c1ccccc1)(c1ccccc1)c1cccc(-c2nc3c4ccccc4c4ccccc4c3c3ccccc23)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 1/20 0.35
ADORA2A P29274 3/20 0.33
TYMS P04818 1/20 0.33
DHODH Q02127 1/20 0.33
RAD52 P43351 1/20 0.32
KCNN4 O15554 2/20 0.32
KCNA5 P22460 2/20 0.32
ACP3 P15309 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TNKS O95271 2/20 0.31
PARP1 P09874 2/20 0.31
TNKS2 Q9H2K2 2/20 0.31
FBP1 P09467 1/20 0.30
CSNK2A2 P19784 1/20 0.30
CSNK2B P67870 1/20 0.30
ATM Q13315 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
SCHEMBL19009789 0.90 TOP1 (0.37) TOP1ADORA2ATYMSDHODHRAD52
SCHEMBL19009753 0.88 TOP1 (0.34) TOP1ADORA2ATYMSDHODHKDM4E
SCHEMBL19009858 0.87 CYP1A1 (0.35) TOP1ACP3KDM4EALDH1A1HPGD
SCHEMBL17915405 0.87 TYMS (0.36) TOP1ADORA2ATYMSDHODHRAD52
SCHEMBL17915298 0.87 TYMS (0.36) TOP1ADORA2ATYMSDHODHRAD52
SCHEMBL19009775 0.86 TOP1 (0.36) TOP1ADORA2ATYMSDHODHRAD52
SCHEMBL17915373 0.84 ESR1 (0.35) TOP1ADORA2ATYMSDHODHRAD52
SCHEMBL19021110 0.84 TOP1 (0.32) TOP1
SCHEMBL19009831 0.84 TOP1 (0.36) TOP1ADORA2ATYMSDHODHKDM4E
SCHEMBL17300232 0.81 DHODH (0.37) TOP1ADORA2ADHODHKDM4ETSHR

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 898/4885ADORA2A 4579/4885TYMS 1197/4885

“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.