SCHEMBL19009831

SCHEMBL19009831

O=P(c1ccccc1)(c1ccccc1)c1ccc(-c2ccc3c(c2)c(-c2ccccc2)nc2c4ccccc4c4ccccc4c32)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 1/20 0.36
DHODH Q02127 3/20 0.34
MKNK1 Q9BUB5 1/20 0.33
PRMT5 O14744 1/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
TSHR P16473 2/20 0.33
HSD17B10 Q99714 2/20 0.33
TYMS P04818 1/20 0.32
DHFR P00374 1/20 0.32
ADORA2A P29274 1/20 0.32
NUDT1 P36639 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ATM Q13315 1/20 0.31
LMNA P02545 1/20 0.31
PLG P00747 1/20 0.31
PLAU P00749 1/20 0.31
GAA P10253 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
SCHEMBL19009789 0.95 TOP1 (0.37) TOP1DHODHMKNK1PRMT5KDM4E
SCHEMBL19009753 0.93 TOP1 (0.34) TOP1DHODHKDM4EALDH1A1HPGD
SCHEMBL17915405 0.90 TYMS (0.36) TOP1DHODHKDM4EALDH1A1HPGD
SCHEMBL17915298 0.90 TYMS (0.36) TOP1DHODHKDM4EALDH1A1HPGD
SCHEMBL19009832 0.90 TOP1 (0.34) TOP1DHODHMKNK1PRMT5
SCHEMBL17915373 0.87 ESR1 (0.35) TOP1DHODHKDM4ETYMSADORA2A
SCHEMBL19009757 0.87 TOP1 (0.35) TOP1
SCHEMBL19009833 0.87 TOP1 (0.38) TOP1TYMS
SCHEMBL19009841 0.85 TOP1 (0.39) TOP1DHODHKDM4EALDH1A1HPGD
SCHEMBL19009769 0.85 TOP1 (0.39) TOP1DHODH

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 898/4885DHODH 1619/4885MKNK1 3252/4885

“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.