SCHEMBL18347015

SCHEMBL18347015

O=[N+]([O-])c1ccccc1-c1cccc2ccc(O)cc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
CHEK1 O14757 1/20 0.49
WEE1 P30291 1/20 0.49
CASP6 P55212 2/20 0.46
HPRT1 P00492 1/20 0.46
TDP1 Q9NUW8 3/20 0.45
GPR35 Q9HC97 1/20 0.44
TRPV1 Q8NER1 1/20 0.44
GSK3B P49841 1/20 0.44
MAPT P10636 3/20 0.44
KDM4E B2RXH2 2/20 0.44
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
PSMD14 O00487 1/20 0.42
PRKACA P17612 1/20 0.42
APAF1 O14727 1/20 0.42
ATM Q13315 1/20 0.42
SAE1 Q9UBE0 1/20 0.42

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
SCHEMBL2170070 0.85 ALDH1A1 (0.61) ALDH1A1CASP6HPRT1TDP1GPR35
SCHEMBL11349459 0.85 ALDH1A1 (0.53) ALDH1A1CHEK1WEE1CASP6HPRT1
SCHEMBL18347025 0.85 ALDH1A1 (0.53) ALDH1A1CHEK1WEE1CASP6HPRT1
SCHEMBL31725 0.82 ALDH1A1 (0.71) ALDH1A1CASP6HPRT1TDP1GPR35
SCHEMBL30443747 0.82 ALDH1A1 (0.71) ALDH1A1CASP6HPRT1TDP1GPR35
SCHEMBL29848512 0.82 ALDH1A1 (0.71) ALDH1A1CASP6HPRT1TDP1GPR35
SCHEMBL17841980 0.81 HPRT1 (0.65) ALDH1A1CASP6HPRT1TDP1MAPT
SCHEMBL15821069 0.81 HPRT1 (0.65) ALDH1A1CASP6HPRT1TDP1MAPT
SCHEMBL14183908 0.81 ALDH1A1 (0.55) ALDH1A1CASP6HPRT1TDP1GPR35
SCHEMBL6474859 0.80 ESR2 (0.59) ALDH1A1TRPV1MAPTKDM4EESR1

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-9728731-B2 Heterocyclic compound and organic light emitting device using same HEESUNG MATERIAL LTD. (KR) 2017-08-08 US disclosed
US-9728731-B2 Heterocyclic compound and organic light emitting device using same HEESUNG MATERIAL LTD. (KR) 2017-08-08 US disclosed
US-20160380208-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME HEESUNG MATERIAL LTD. (KR) 2016-12-29 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-20160380208-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME NOTUM, DDT, CRY1 ALDH1A1 85/4885CHEK1 1897/4885WEE1 21/4885

“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.