SCHEMBL20152831

SCHEMBL20152831

O=[N+]([O-])c1ccccc1-c1ccc2ccccc2c1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 1/20 0.57
ALDH1A1 P00352 2/20 0.56
KMT2A Q03164 3/20 0.50
MAPT P10636 3/20 0.50
MEN1 O00255 2/20 0.50
KDM4E B2RXH2 2/20 0.50
HPRT1 P00492 1/20 0.49
TDP1 Q9NUW8 3/20 0.47
GPR35 Q9HC97 1/20 0.47
APAF1 O14727 1/20 0.47
ATM Q13315 1/20 0.47
SAE1 Q9UBE0 1/20 0.47
UBA2 Q9UBT2 1/20 0.47
CTSB P07858 1/20 0.45
TNF P01375 1/20 0.44
NOD1 Q9Y239 1/20 0.44
GUSB P08236 1/20 0.43
F2 P00734 1/20 0.43
C1R P00736 1/20 0.43
PTPN22 Q9Y2R2 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
SCHEMBL29848512 0.81 ALDH1A1 (0.71) CASP6ALDH1A1KMT2AMAPTMEN1
SCHEMBL589016 0.81 CASP6 (0.66) CASP6ALDH1A1KMT2AMAPTMEN1
SCHEMBL28058443 0.81 CASP6 (0.66) CASP6ALDH1A1KMT2AMAPTMEN1
SCHEMBL30443747 0.81 ALDH1A1 (0.71) CASP6ALDH1A1KMT2AMAPTMEN1
SCHEMBL31725 0.81 ALDH1A1 (0.71) CASP6ALDH1A1KMT2AMAPTMEN1
SCHEMBL25783900 0.81 GPR35 (0.65) CASP6ALDH1A1KMT2AMAPTMEN1
SCHEMBL16582329 0.80 ALDH1A1 (0.63) ALDH1A1KMT2AMAPTMEN1TDP1
SCHEMBL9162290 0.80 CASP6 (0.65) CASP6ALDH1A1KMT2AMAPTMEN1
SCHEMBL15821069 0.80 HPRT1 (0.65) CASP6ALDH1A1KMT2AMAPTMEN1
SCHEMBL17841980 0.80 HPRT1 (0.65) CASP6ALDH1A1KMT2AMAPTMEN1

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-20180138421-A1 POLYCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2018-05-17 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-20180138421-A1 POLYCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME CRY2, NR2E3, CRY1 CASP6 2004/4885ALDH1A1 928/4885KMT2A 145/4885

“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.