Sugi Predict

Sugi Predict / Compounds / SCHEMBL20108893

SCHEMBL20108893

SCHEMBL20108893

O=P(c1ccccc1)(c1ccccc1)c1ccc(-c2ccc3c(-c4ccc(-c5ccccc5)cc4)c4cc(-c5ccc6ccc7cccnc7c6n5)ccc4c(-c4ccc(-c5ccccc5)cc4)c3c2)nc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 1/20 0.37
▸ TOP1 P11387 6/20 0.36
▸ CYP2C9 P11712 3/20 0.34
▸ NPC1 O15118 1/20 0.33
▸ MMP2 P08253 2/20 0.32
▸ CYP11B1 P15538 2/20 0.32
▸ CYP11B2 P19099 2/20 0.32
▸ CCR1 P32246 2/20 0.32
▸ CCR5 P51681 2/20 0.32
▸ CCR8 P51685 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ GMNN O75496 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ HSP90AA1 P07900 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ MMP9 P14780 1/20 0.32
▸ ALOX15 P16050 1/20 0.32

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
SCHEMBL20108835 0.94 TOP1 (0.38) TRPV1TOP1MMP2CCR1CCR5
SCHEMBL20108843 0.94 TOP1 (0.38) TRPV1TOP1MMP2CCR1CCR5
SCHEMBL20108845 0.93 TOP1 (0.37) TRPV1TOP1MMP2CCR1CCR5
SCHEMBL20108883 0.91 TOP1 (0.35) TRPV1TOP1CYP2C9MMP2CYP11B1
SCHEMBL20108844 0.90 TOP1 (0.37) TOP1CYP2C9MMP2CYP11B1CYP11B2
SCHEMBL20108873 0.89 TOP1 (0.36) TOP1CYP2C9MMP2CYP11B1CYP11B2
SCHEMBL20108892 0.87 TOP1 (0.37) TOP1CYP2C9MMP2CCR1CCR5
SCHEMBL20108862 0.85 TOP1 (0.39) TOP1CYP2C9TP53CYP3A4CYP2D6
SCHEMBL23709976 0.85 CCR1 (0.42) TOP1MMP2CYP11B1CYP11B2CCR1
SCHEMBL12708804 0.85 CCR1 (0.42) TOP1MMP2CCR1CCR5CCR8

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 TRPV1 47/4885TOP1 2172/4885CYP2C9 400/4885
US-11155543-B2 Organic compound, and organic light emitting diode and organic light emitting display device including the same OCIAD2, OCIAD1, PPOX TRPV1 47/4885TOP1 2172/4885CYP2C9 400/4885

“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.