SCHEMBL17451748

SCHEMBL17451748

O=[N+]([O-])c1ccccc1-c1cc2ccccc2c2oc3ccccc3c12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.53
▸ LMNA P02545 1/20 0.53
▸ MAOB P27338 1/20 0.46
▸ MEN1 O00255 5/20 0.43
▸ KMT2A Q03164 5/20 0.43
▸ MAPT P10636 4/20 0.43
▸ F2 P00734 1/20 0.43
▸ C1R P00736 1/20 0.43
▸ GAA P10253 3/20 0.43
▸ GABRP O00591 1/20 0.43
▸ GABRD O14764 1/20 0.43
▸ GABRA1 P14867 1/20 0.43
▸ GABRB1 P18505 1/20 0.43
▸ GABRG2 P18507 1/20 0.43
▸ GABRB3 P28472 1/20 0.43
▸ GABRA5 P31644 1/20 0.43
▸ GABRA3 P34903 1/20 0.43
▸ GABRA2 P47869 1/20 0.43
▸ GABRB2 P47870 1/20 0.43
▸ GABRA4 P48169 1/20 0.43

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
SCHEMBL18086411 0.90 ALDH1A1 (0.53) ALDH1A1LMNAMAOBMEN1KMT2A
SCHEMBL19786342 0.86 HPRT1 (0.47) ALDH1A1LMNAMAOBMEN1KMT2A
SCHEMBL16276010 0.83 ALDH1A1 (0.54) ALDH1A1LMNAMAOBMEN1KMT2A
SCHEMBL24171432 0.81 ALDH1A1 (0.50) ALDH1A1LMNAMAOBMEN1KMT2A
SCHEMBL18086410 0.79 ALDH1A1 (0.59) ALDH1A1LMNAMAOBMEN1KMT2A
SCHEMBL17406610 0.79 ALDH1A1 (0.50) ALDH1A1LMNAMAOBMEN1KMT2A
SCHEMBL17406614 0.79 ALDH1A1 (0.50) ALDH1A1LMNAMAOBMEN1KMT2A
SCHEMBL17706811 0.79 ALDH1A1 (0.58) ALDH1A1LMNAMAOBMEN1KMT2A
SCHEMBL17406613 0.78 ALDH1A1 (0.47) ALDH1A1LMNAMAOBMEN1KMT2A
SCHEMBL19544360 0.78 HPRT1 (0.47) ALDH1A1LMNAMAOBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9799835-B2 Compound for organic electric element, organic electric element comprising the same and electronic device thereof DUK SAN NEOLUX CO., LTD. (KR) 2017-10-24 — — US disclosed
US-20160020410-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT COMPRISING THE SAME AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2016-01-21 — — 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 (1 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-20160020410-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT COMPRISING THE SAME AND ELECTRONIC DEVICE THEREOF OR51E2, NFE2L2, ORAI2 ALDH1A1 1349/4885LMNA 2624/4885MAOB 2049/4885

“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.

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