Sugi Predict

Sugi Predict / Compounds / SCHEMBL20108903

SCHEMBL20108903

SCHEMBL20108903

O=P(c1ccccc1)(c1ccccc1)c1ccc2cc(-c3ccc(-c4ccc5ccc6ccc(-c7ccccc7)nc6c5n4)cn3)ccc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A1 P04798 1/20 0.37
▸ CYP1B1 Q16678 1/20 0.37
▸ PARP1 P09874 1/20 0.36
▸ TRPV1 Q8NER1 1/20 0.36
▸ CYP11B1 P15538 3/20 0.36
▸ CYP11B2 P19099 3/20 0.36
▸ PTPN2 P17706 1/20 0.36
▸ PTPN1 P18031 1/20 0.36
▸ DHODH Q02127 1/20 0.35
▸ LDHA P00338 1/20 0.35
▸ HPGDS O60760 1/20 0.35
▸ EGLN3 Q9H6Z9 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ TOP1 P11387 1/20 0.35
▸ HSD17B1 P14061 1/20 0.35
▸ HSD17B2 P37059 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ BAZ2B Q9UIF8 1/20 0.35
▸ AXL P30530 1/20 0.34

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
SCHEMBL20108882 0.91 PARP1 (0.40) CYP1A1CYP1B1PARP1CYP11B1CYP11B2
SCHEMBL20108846 0.87 CYP1A1 (0.45) CYP1A1CYP1B1PARP1CYP11B1CYP11B2
SCHEMBL20108896 0.86 NOS1 (0.39) CYP1A1CYP1B1PARP1CYP11B1CYP11B2
SCHEMBL17174127 0.85 PARP1 (0.46) CYP1A1CYP1B1PARP1TOP1RAB9A
SCHEMBL17174105 0.85 PARP1 (0.46) CYP1A1CYP1B1PARP1TOP1RAB9A
SCHEMBL17403775 0.85 PARP1 (0.46) PARP1TOP1NPC1RAB9A
SCHEMBL20108852 0.84 TOP1 (0.41) PARP1TRPV1CYP11B1CYP11B2TOP1
SCHEMBL14020765 0.84 PARP1 (0.47) CYP1A1CYP1B1PARP1TOP1RAB9A
SCHEMBL20108860 0.83 TOP1 (0.38) CYP1A1CYP1B1PARP1DHODHTOP1
SCHEMBL20108858 0.83 TOP1 (0.38) CYP1A1CYP1B1PARP1CYP11B1CYP11B2

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 CYP1A1 984/4885CYP1B1 1088/4885PARP1 2652/4885
US-11155543-B2 Organic compound, and organic light emitting diode and organic light emitting display device including the same OCIAD2, OCIAD1, PPOX CYP1A1 984/4885CYP1B1 1088/4885PARP1 2652/4885

“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.