SCHEMBL397366

SCHEMBL397366

O=C(OC(=O)c1cc(O)ccc1O)c1cc(O)ccc1O.[KH]

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA12 O43570 8/20 0.68
CA1 P00915 8/20 0.68
CA2 P00918 8/20 0.68
CA7 P43166 8/20 0.68
CA9 Q16790 8/20 0.68
CA14 Q9ULX7 8/20 0.68
ALOX5 P09917 1/20 0.59
PTGS2 P35354 1/20 0.59
PDK2 Q15119 1/20 0.47
PDK4 Q16654 1/20 0.47
CHRNA7 P36544 3/20 0.46
SERPINE1 P05121 1/20 0.46
CES2 O00748 1/20 0.45
EGFR P00533 1/20 0.44
P2RX1 P51575 1/20 0.44
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.43
GUSB P08236 1/20 0.43
HSP90AB1 P08238 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
SCHEMBL344827 0.98 CA12 (0.70) CA12CA1CA2CA7CA9
SCHEMBL5267852 0.86 CA12 (0.67) CA12CA1CA2CA7CA9
Methyl 2,5-Dihydroxybenzoate SCHEMBL29457577 0.81 CA12 (1.00) CA12CA1CA2CA7CA9
Methyl 2,5-Dihydroxybenzoate SCHEMBL38890 0.81 CA12 (1.00) CA12CA1CA2CA7CA9
SCHEMBL10819681 0.81 CA12 (0.66) CA12CA1CA2CA7CA9
SCHEMBL13286843 0.79 CA12 (0.73) CA12CA1CA2CA7CA9
SCHEMBL28895697 0.79 CA12 (0.53) CA12CA1CA2CA7CA9
SCHEMBL10787290 0.78 CA12 (0.61) CA12CA1CA2CA7CA9
SCHEMBL7089488 0.78 CA12 (0.71) CA12CA1CA2CA7CA9
SCHEMBL8021559 0.78 CA12 (0.61) CA12CA1CA2CA7CA9

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-20120087904-A1 Use Of 2,5-Dihydroxybenzene Compounds And Derivatives For The Treatment Of Skin Cancer AmDerma Pharmaceuticals, LLC (US) 2012-04-12 US disclosed
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-20110237555-A1 USE OF 2,5-DIHYDROXYBENZENE COMPOUNDS AND DERIVATIVES FOR THE TREATMENT OF ROSACEA ACTION MEDICINES (ES) 2011-09-29 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 (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-20120087904-A1 Use Of 2,5-Dihydroxybenzene Compounds And Derivatives For The Treatment Of Skin Cancer CYP8B1, CYP26B1, CYP24A1 CA12 431/4885CA1 1782/4885CA2 463/4885
US-20110237555-A1 USE OF 2,5-DIHYDROXYBENZENE COMPOUNDS AND DERIVATIVES FOR THE TREATMENT OF ROSACEA CYP8B1, CYP1B1, CYP26B1 CA12 1207/4885CA1 2993/4885CA2 899/4885

“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.