SCHEMBL20108858

SCHEMBL20108858

O=P(c1ccccc1)(c1ccccc1)c1ccc2cc(-c3c4ccccc4c(-c4ccc5ccc6ccc(-c7ccccc7)nc6c5n4)c4ccccc34)ccc2c1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 1/20 0.38
PARP1 P09874 1/20 0.35
DHODH Q02127 2/20 0.33
CYP1A1 P04798 1/20 0.33
CYP1B1 Q16678 1/20 0.33
CYP2C9 P11712 3/20 0.32
NQO2 P16083 2/20 0.32
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
HIF1A Q16665 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ADORA3 P0DMS8 1/20 0.31
ESR1 P03372 3/20 0.31
ESR2 Q92731 3/20 0.31
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 1/20 0.30
PIM1 P11309 1/20 0.30
PIM2 Q9P1W9 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
SCHEMBL20108853 0.89 TOP1 (0.38) TOP1CYP2C9TP53HIF1A
SCHEMBL20108882 0.89 PARP1 (0.40) TOP1PARP1CYP1A1CYP1B1NQO2
SCHEMBL20108900 0.88 CYP2C9 (0.39) TOP1DHODHCYP2C9TP53HSD17B10
SCHEMBL20108860 0.86 TOP1 (0.38) TOP1PARP1DHODHCYP1A1CYP1B1
SCHEMBL15479318 0.85 ESR1 (0.39) TOP1CYP2C9CYP1A2CYP2C19ESR1
SCHEMBL20250370 0.83 CYP1A1 (0.46) PARP1CYP1A1CYP1B1CYP2C9TP53
SCHEMBL17403775 0.83 PARP1 (0.46) TOP1PARP1PIM1PIM2
SCHEMBL20108903 0.83 CYP1A1 (0.37) TOP1PARP1DHODHCYP1A1CYP1B1
SCHEMBL20108862 0.83 TOP1 (0.39) TOP1PARP1DHODHCYP1A1CYP1B1
SCHEMBL17451937 0.83 TOP1 (0.38) TOP1PARP1DHODHCYP1A1CYP1B1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11155543-B2 Organic compound, and organic light emitting diode and organic light emitting display device including the same LG DISPLAY CO., LTD. (KR) 2021-10-26 US disclosed
US-20180118742-A1 ORGANIC COMPOUND, AND ORGANIC LIGHT EMITTING DIODE AND ORGANIC LIGHT EMITTING DISPLAY DEVICE INCLUDING THE SAME LG DISPLAY CO., LTD. (KR) 2018-05-03 US disclosed
US-20180118742-A1 ORGANIC COMPOUND, AND ORGANIC LIGHT EMITTING DIODE AND ORGANIC LIGHT EMITTING DISPLAY DEVICE INCLUDING THE SAME LG DISPLAY CO., LTD. (KR) 2018-05-03 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 (2 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-20180118742-A1 ORGANIC COMPOUND, AND ORGANIC LIGHT EMITTING DIODE AND ORGANIC LIGHT EMITTING DISPLAY DEVICE INCLUDING THE SAME OCIAD2, OCIAD1, PPOX TOP1 2172/4885PARP1 2652/4885DHODH 81/4885
US-11155543-B2 Organic compound, and organic light emitting diode and organic light emitting display device including the same OCIAD2, OCIAD1, PPOX TOP1 2172/4885PARP1 2652/4885DHODH 81/4885

“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.