SCHEMBL21888298

SCHEMBL21888298

O=[N+]([O-])c1ccccc1-c1ccc2c(c1)c1ccccc1c1ccc3ccccc3c12

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HPRT1 P00492 1/20 0.57
▸ ALDH1A1 P00352 4/20 0.49
▸ TDP1 Q9NUW8 3/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ TSHR P16473 2/20 0.41
▸ CASP6 P55212 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ ADORA1 P30542 1/20 0.40
▸ MAPT P10636 2/20 0.39
▸ GUSB P08236 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ F2 P00734 1/20 0.39
▸ C1R P00736 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ HNF4A P41235 2/20 0.39
▸ CYP3A4 P08684 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL17841953 0.90 HPRT1 (0.62) HPRT1ALDH1A1TDP1TSHRCASP6
SCHEMBL31453720 0.88 ALDH1A1 (0.61) HPRT1ALDH1A1TDP1TSHRLMNA
SCHEMBL17841982 0.87 HPRT1 (0.62) HPRT1ALDH1A1TDP1TSHRCASP6
SCHEMBL15821435 0.87 HPRT1 (0.57) HPRT1ALDH1A1TDP1TSHRCASP6
SCHEMBL15823175 0.85 HPRT1 (0.59) HPRT1ALDH1A1TDP1TSHRCASP6
SCHEMBL2627610 0.81 HPRT1 (0.71) HPRT1ALDH1A1TDP1TSHRCASP6
SCHEMBL18419177 0.81 ALDH1A1 (0.56) HPRT1ALDH1A1TDP1TSHRLMNA
SCHEMBL18347058 0.81 ALDH1A1 (0.51) HPRT1ALDH1A1TDP1TSHRLMNA
SCHEMBL19832037 0.81 HPRT1 (0.45) HPRT1ALDH1A1TDP1SMN1; SMN2TSHR
SCHEMBL17063444 0.80 ALDH1A1 (0.54) HPRT1ALDH1A1TDP1TSHRCASP6

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-11111244-B2 Organic compound and organic electroluminescence device using the same LUMINESCENCE TECHNOLOGY CORP. (TW) 2021-09-07 — — US disclosed
US-20200109138-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME LUMINESCENCE TECHNOLOGY CORPORATION (TW) 2020-04-09 — — 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-20200109138-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME SLCO4C1, PIEZO1, TRPC6 HPRT1 173/4885ALDH1A1 1836/4885TDP1 1909/4885
US-11111244-B2 Organic compound and organic electroluminescence device using the same SLCO4C1, PIEZO1, TRPC6 HPRT1 173/4885ALDH1A1 1836/4885TDP1 1909/4885

“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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