Sugi Predict

Sugi Predict / Compounds / SCHEMBL20108846

SCHEMBL20108846

SCHEMBL20108846

O=P(c1ccccc1)(c1ccccc1)c1ccc(-c2ccc3ccc4ccc(-c5ccc6ccccc6c5)nc4c3n2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A1 P04798 1/20 0.45
▸ CYP1B1 Q16678 1/20 0.45
▸ CTRC Q99895 1/20 0.42
▸ PARP1 P09874 2/20 0.41
▸ CYP1A2 P05177 3/20 0.41
▸ CA12 O43570 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ AR P10275 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ GFER P55789 1/20 0.39
▸ NFKB2 Q00653 1/20 0.39

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
SCHEMBL20108896 0.91 NOS1 (0.39) CYP1A1CYP1B1CTRCPARP1CYP1A2
SCHEMBL20108882 0.90 PARP1 (0.40) CYP1A1CYP1B1PARP1RAB9ATOP1
SCHEMBL17174127 0.90 PARP1 (0.46) CYP1A1CYP1B1PARP1ALDH1A1RAB9A
SCHEMBL17174105 0.90 PARP1 (0.46) CYP1A1CYP1B1PARP1ALDH1A1RAB9A
SCHEMBL17403775 0.89 PARP1 (0.46) PARP1ALDH1A1RAB9ASMN1; SMN2KDM4E
SCHEMBL20108906 0.88 NOS1 (0.39) CYP1A1CYP1B1CTRCPARP1CYP1A2
SCHEMBL20108903 0.87 CYP1A1 (0.37) CYP1A1CYP1B1PARP1RAB9ANPC1
SCHEMBL17451965 0.87 TOP1 (0.42) PARP1SMN1; SMN2CYP2C9KDM4EMAPT
SCHEMBL17174126 0.87 PARP1 (0.39) CTRCPARP1ALDH1A1RAB9ANPSR1
SCHEMBL17451937 0.86 TOP1 (0.38) CYP1A1CYP1B1CTRCPARP1CYP1A2

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 1088/4885CTRC 2817/4885
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 1088/4885CTRC 2817/4885

“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.