SCHEMBL3102452

SCHEMBL3102452

c1ccc2c(c1)Oc1ccccc1O2.c1ccc2c(c1)Oc1ccccc1O2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.56
MAOB P27338 2/20 0.56
ALOX5 P09917 1/20 0.56
AHR P35869 5/20 0.55
ABCG2 Q9UNQ0 1/20 0.47
ITGB2 P05107 1/20 0.47
ICAM1 P05362 1/20 0.47
ITGAL P20701 1/20 0.47
TRPA1 O75762 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPK1 P28482 1/20 0.43
ATM Q13315 1/20 0.43
GAA P10253 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
P2RX4 Q99571 1/20 0.40
LMNA P02545 1/20 0.40
CRHBP P24387 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL29724179 1.00 MAOA (0.56) MAOAMAOBALOX5AHRABCG2
SCHEMBL4571011 1.00 MAOA (0.56) MAOAMAOBALOX5AHRABCG2
SCHEMBL8668546 1.00 MAOA (0.56) MAOAMAOBALOX5AHRABCG2
SCHEMBL15613 1.00
SCHEMBL125113 1.00 MAOA (0.56) MAOAMAOBALOX5AHRABCG2
SCHEMBL8671027 1.00 MAOA (0.56) MAOAMAOBALOX5AHRABCG2
SCHEMBL29383458 1.00 MAOA (0.56) MAOAMAOBALOX5AHRABCG2
Water SCHEMBL1286428 0.96 MAOA (0.53) MAOAMAOBALOX5AHRABCG2
Hydrochloric Acid SCHEMBL7263461 0.96 MAOA (0.53) MAOAMAOBALOX5AHRABCG2
Hydrochloric Acid SCHEMBL5958364 0.96 MAOA (0.53) MAOAMAOBALOX5AHRABCG2

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-20120122965-A1 COMPOSITIONS FOR SKIN PROTECTION AND IMPROVEMENT OF SKIN DISEASES CONTAINING THE DIBENZO-P-DIOXINE DERIVATIVES LIVECHEM, INC. (KR) 2012-05-17 US disclosed
US-20100184847-A1 COMPOSITIONS FOR SKIN PROTECTION AND IMPROVEMENT OF SKIN DISEASES CONTAINING THE DIBENZO-P-DIOXINE DERIVATIVES LIVECHEM, INC. (KR) 2010-07-22 US disclosed
WO-2009017369-A2 COMPOSITIONS FOR SKIN PROTECTION AND IMPROVEMENT OF SKIN DISEASES CONTAINING THE DIBENZO-P-DIOXINE DERIVATIVES LIVECHEM, INC. (KR) 2009-02-05 WO 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 (2 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-20100184847-A1 COMPOSITIONS FOR SKIN PROTECTION AND IMPROVEMENT OF SKIN DISEASES CONTAINING THE DIBENZO-P-DIOXINE DERIVATIVES DSG1, CUTA, DSP MAOA 8/4885MAOB 21/4885ALOX5 62/4885
US-20120122965-A1 COMPOSITIONS FOR SKIN PROTECTION AND IMPROVEMENT OF SKIN DISEASES CONTAINING THE DIBENZO-P-DIOXINE DERIVATIVES DSG1, CUTA, DSP MAOA 8/4885MAOB 21/4885ALOX5 62/4885

“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.