SCHEMBL21526724

SCHEMBL21526724

COc1cc(CCO)c(Br)c(OC)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.45
▸ CYP2D6 P10635 1/20 0.40
▸ TAAR1 Q96RJ0 2/20 0.39
▸ ADRA1A P35348 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.37
▸ PDE4A P27815 1/20 0.36
▸ PDE4B Q07343 1/20 0.36
▸ PDE4C Q08493 1/20 0.36
▸ PDE4D Q08499 1/20 0.36
▸ APLNR P35414 1/20 0.36
▸ HTR2A P28223 2/20 0.35
▸ HTR2C P28335 2/20 0.35
▸ CA12 O43570 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA7 P43166 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ CA14 Q9ULX7 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35

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
SCHEMBL12404016 0.85 PDE4A (0.47) CYP1A2TAAR1ADRA1AHSD17B10PDE4A
SCHEMBL29153638 0.84 CYP1A2 (0.46) CYP1A2TAAR1ADRA1AAPLNRHTR2A
SCHEMBL9377735 0.79 CYP1A2 (0.44) CYP1A2TAAR1ADRA1AAPLNRHTR2A
SCHEMBL10044606 0.79 CYP1A2 (0.44) CYP1A2TAAR1ADRA1AHSD17B10APLNR
SCHEMBL8472752 0.79 CYP1A2 (0.49) CYP1A2CYP2D6TAAR1ADRA1AHSD17B10
SCHEMBL27785360 0.78 CYP1A2 (0.41) CYP1A2TAAR1ADRA1AHSD17B10APLNR
SCHEMBL3395789 0.78 CYP1A2 (0.43) CYP1A2TAAR1ADRA1AHSD17B10APLNR
SCHEMBL27942158 0.76 HSD17B10 (0.61) CYP1A2HSD17B10USP2CYP3A4MAPK1
SCHEMBL1203850 0.76 ALDH1A1 (0.53) CYP1A2CYP2D6CA12CA1CA2
SCHEMBL8354454 0.75 PDE4A (0.44) CYP1A2TAAR1ADRA1AHSD17B10PDE4A

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-10640469-B2 Polyhydroxyphthalazinone compound, preparation method thereof and use thereof REJUVGEN PHARMACEUTICALS, INC. (CN) 2020-05-05 — — US disclosed
EP-3564215-A1 POLYHYDROXYPHTHALAZINONE COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF Rejuvgen Pharmaceuticals, Inc. (CN) 2019-11-06 — — EP 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-10640469-B2 Polyhydroxyphthalazinone compound, preparation method thereof and use thereof ESRRB, ESR2, ESRRA CYP1A2 138/4885CYP2D6 181/4885TAAR1 1357/4885

“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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