SCHEMBL21578018

SCHEMBL21578018

c1ccc2c(c1)Oc1ccc3ccc4cccc5cc-2c1c3c45

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 5/20 0.65
▸ ATM Q13315 2/20 0.65
▸ KDM4E B2RXH2 2/20 0.65
▸ TYMS P04818 2/20 0.46
▸ ALDH1A1 P00352 5/20 0.42
▸ HSD17B10 Q99714 5/20 0.42
▸ TSHR P16473 4/20 0.42
▸ HPGD P15428 4/20 0.42
▸ CASP1 P29466 3/20 0.42
▸ HIF1A Q16665 2/20 0.42
▸ CASP7 P55210 2/20 0.42
▸ TP53 P04637 1/20 0.42
▸ CYP1A2 P05177 4/20 0.38
▸ CYP1A1 P04798 2/20 0.38
▸ CYP1B1 Q16678 2/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ MAOA P21397 2/20 0.38
▸ AHR P35869 2/20 0.38
▸ ERBB2 P04626 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
SCHEMBL29907833 0.79 MAPK1 (1.00) MAPK1ATMKDM4ETYMSALDH1A1
SCHEMBL13309034 0.79 MAPK1 (1.00) MAPK1ATMKDM4ETYMSALDH1A1
SCHEMBL18159667 0.79 MAPK1 (0.54) MAPK1ATMKDM4ETYMSALDH1A1
SCHEMBL24254039 0.77 MAPK1 (0.96) MAPK1ATMKDM4ETYMSALDH1A1
SCHEMBL20151723 0.77 ALDH1A1 (0.61) MAPK1ATMKDM4ETYMSALDH1A1
SCHEMBL24254100 0.77 MAPK1 (0.87) MAPK1ATMKDM4ETYMSALDH1A1
SCHEMBL24782411 0.76 MAPK1 (0.51) MAPK1ATMKDM4ETYMSALDH1A1
SCHEMBL24823907 0.76 MAPK1 (0.64) MAPK1ATMKDM4ETYMSALDH1A1
SCHEMBL12172735 0.75 MAPK1 (0.68) MAPK1ATMKDM4ETYMSALDH1A1
SCHEMBL17069551 0.74 MAPK1 (0.60) MAPK1ATMKDM4ETYMSALDH1A1

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-20190355908-A1 Organic Cocrystal and Applications of the Same HU WENPING (CN) 2019-11-21 — — 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-20190355908-A1 Organic Cocrystal and Applications of the Same OTC, SOD1, AOC1 MAPK1 3390/4885ATM 1649/4885KDM4E 2308/4885

“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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