SCHEMBL29311796

SCHEMBL29311796

O=[N+]([O-])c1cc2ccccc2cc1-c1ccc2c(c1)c1cccc3c4ccccc4n2c31

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.40
▸ MAPT P10636 7/20 0.39
▸ CASP6 P55212 1/20 0.39
▸ PTGES O14684 1/20 0.38
▸ POLB P06746 3/20 0.37
▸ KMT2A Q03164 6/20 0.37
▸ MEN1 O00255 5/20 0.37
▸ LMNA P02545 2/20 0.37
▸ TDP1 Q9NUW8 2/20 0.37
▸ TSHR P16473 1/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ HPRT1 P00492 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ CYP3A4 P08684 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ PLA2G10 O15496 1/20 0.33
▸ MGAM O43451 1/20 0.33
▸ PLA2G2A P14555 1/20 0.33

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
SCHEMBL24161835 0.86 ALDH1A1 (0.46) ALDH1A1MAPTPOLBKMT2AMEN1
SCHEMBL29311792 0.83 ALDH1A1 (0.43) ALDH1A1MAPTCASP6PTGESPOLB
SCHEMBL29311797 0.82 CYP3A4 (0.42) ALDH1A1MAPTPOLBKMT2AMEN1
SCHEMBL16621744 0.76 MAPT (0.58) ALDH1A1MAPTPOLBKMT2AMEN1
SCHEMBL16050101 0.76 ALDH1A1 (0.43) ALDH1A1MAPTCASP6POLBKMT2A
SCHEMBL21453590 0.76 CYP11B1 (0.40) ALDH1A1MAPTPOLBKMT2AMEN1
SCHEMBL19725228 0.75 ALDH1A1 (0.51) ALDH1A1MAPTPOLBKMT2AMEN1
SCHEMBL10153530 0.75 KDM4E (0.44) ALDH1A1MAPTPOLBKMT2AMEN1
SCHEMBL16621739 0.75 KDM4E (0.44) ALDH1A1MAPTPOLBKMT2AMEN1
SCHEMBL21453591 0.74 HSD17B1 (0.45) ALDH1A1MAPTPOLBKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12041851-B2 Compound and organic light emitting device comprising same LG CHEM, LTD. (KR) 2024-07-16 — — 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-12041851-B2 Compound and organic light emitting device comprising same CRY1, CYP1A1, TRPA1 ALDH1A1 25/4885MAPT 721/4885CASP6 2225/4885

“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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