SCHEMBL395590

SCHEMBL395590

Cc1ccc(S(=O)(=O)Oc2cc(O)cc(OS(=O)(=O)c3ccc(C)cc3)c2S(=O)(=O)O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.52
KMT2A Q03164 6/20 0.51
MEN1 O00255 5/20 0.51
GAA P10253 3/20 0.51
ESR1 P03372 1/20 0.51
ESR2 Q92731 1/20 0.51
LMNA P02545 4/20 0.46
MAPK1 P28482 1/20 0.46
GFER P55789 1/20 0.45
ALDH1A1 P00352 5/20 0.43
CYTH2 Q99418 1/20 0.43
CYP2D6 P10635 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
MAPT P10636 3/20 0.41
HTT P42858 3/20 0.40
CA12 O43570 1/20 0.39
CA2 P00918 1/20 0.39
HSD11B1 P28845 1/20 0.39

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
SCHEMBL344099 0.80 KMT2A (0.56) CYP1A2KMT2AMEN1GAAESR1
SCHEMBL4927181 0.78 CYP1A2 (0.62) CYP1A2KMT2AMEN1GAAESR1
SCHEMBL391928 0.76 CYP1A2 (0.53) CYP1A2KMT2AMEN1GAAESR1
SCHEMBL6311183 0.76 CYP1A2 (0.57) CYP1A2KMT2AMEN1GAAESR1
SCHEMBL3978103 0.74 LMNA (0.58) CYP1A2KMT2AMEN1GAAESR1
SCHEMBL14878174 0.74 MEN1 (0.60) CYP1A2KMT2AMEN1GAAESR1
SCHEMBL6311175 0.74 GFER (0.64) CYP1A2KMT2AMEN1GAALMNA
SCHEMBL6741027 0.74 CYP1A2 (0.61) CYP1A2KMT2AMEN1GAAESR1
SCHEMBL342714 0.74 KMT2A (0.56) CYP1A2KMT2AMEN1GAAESR1
Phloroglucinol SCHEMBL5083043 0.74 LMNA (0.60) CYP1A2GAALMNAMAPK1ALDH1A1

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-8101660-B2 Use of 2,5-dihydroxybenzene compounds and derivatives for the treatment of skin cancer AmDerma Pharmaceuticals, LLC (US) 2012-01-24 US disclosed
US-20080114060-A1 2-(acetyloxy)-5-hydroxybenzenesulfonic acid, or 5-(acetyloxy)-2-hydroxybenzene-sulfonic acid, or 2,5-bis(acetyloxy)benzenesulfonic acid, or sultosilic acid for example; combination therapy with other drugs or photodynamic therapy ACTION MEDICINES (ES) 2008-05-15 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-20080114060-A1 2-(acetyloxy)-5-hydroxybenzenesulfonic acid, or 5-(acetyloxy)-2-hydroxybenzene-sulfonic acid, or 2,5-bis(acetyloxy)benzenesulfonic acid, or sultosilic acid for example; combination therapy with other drugs or photodynamic therapy ALAD, ARSA, STS CYP1A2 412/4885KMT2A 1664/4885MEN1 4632/4885

“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.