SCHEMBL20108882

SCHEMBL20108882

O=P(c1ccccc1)(c1ccccc1)c1ccc2cc(-c3ccc(-c4ccc5ccc6ccc(-c7ccccc7)nc6c5n4)cc3)ccc2c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.40
ESR1 P03372 2/20 0.39
ESR2 Q92731 2/20 0.39
CYP1A1 P04798 1/20 0.38
CYP1B1 Q16678 1/20 0.38
CYP11B1 P15538 2/20 0.38
CYP11B2 P19099 2/20 0.38
CYP17A1 P05093 1/20 0.36
CYP19A1 P11511 1/20 0.36
TOP1 P11387 1/20 0.36
BACE1 P56817 1/20 0.36
PGR P06401 1/20 0.35
NQO2 P16083 1/20 0.34
MEN1 O00255 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
PIM1 P11309 1/20 0.34
PIM2 Q9P1W9 1/20 0.34
XDH P47989 1/20 0.33

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
SCHEMBL17403775 0.91 PARP1 (0.46) PARP1TOP1MEN1RAB9AKMT2A
SCHEMBL20108903 0.91 CYP1A1 (0.37) PARP1CYP1A1CYP1B1CYP11B1CYP11B2
SCHEMBL20108846 0.90 CYP1A1 (0.45) PARP1ESR1ESR2CYP1A1CYP1B1
SCHEMBL20108852 0.90 TOP1 (0.41) PARP1CYP11B1CYP11B2CYP17A1CYP19A1
SCHEMBL20108858 0.89 TOP1 (0.38) PARP1ESR1ESR2CYP1A1CYP1B1
SCHEMBL20108860 0.89 TOP1 (0.38) PARP1CYP1A1CYP1B1TOP1NQO2
SCHEMBL17174105 0.88 PARP1 (0.46) PARP1CYP1A1CYP1B1CYP19A1TOP1
SCHEMBL17174127 0.88 PARP1 (0.46) PARP1CYP1A1CYP1B1CYP19A1TOP1
SCHEMBL17174111 0.87 PARP1 (0.41) PARP1CYP11B1CYP11B2CYP19A1TOP1
SCHEMBL14020765 0.87 PARP1 (0.47) PARP1CYP1A1CYP1B1CYP19A1TOP1

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 PARP1 2652/4885ESR1 107/4885ESR2 471/4885
US-11155543-B2 Organic compound, and organic light emitting diode and organic light emitting display device including the same OCIAD2, OCIAD1, PPOX PARP1 2652/4885ESR1 107/4885ESR2 471/4885

“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.