SCHEMBL3735018

SCHEMBL3735018

COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2OS(=O)(=O)O)ccc1O

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.71
KMT2A Q03164 3/20 0.71
CYP1A1 P04798 3/20 0.71
CYP1A2 P05177 3/20 0.71
CYP1B1 Q16678 3/20 0.71
CA12 O43570 1/20 0.71
CA2 P00918 1/20 0.71
CA4 P22748 1/20 0.71
PPARG P37231 1/20 0.71
CA7 P43166 1/20 0.71
XDH P47989 1/20 0.71
IPMK Q8NFU5 1/20 0.71
IP6K2 Q9UHH9 1/20 0.71
ABCG2 Q9UNQ0 3/20 0.68
TUBB4A P04350 1/20 0.66
TUBB P07437 1/20 0.66
TUBA3C P0DPH7 1/20 0.66
TUBA1B P68363 1/20 0.66
TUBA4A P68366 1/20 0.66
TUBB4B P68371 1/20 0.66

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
SCHEMBL3642770 0.94 TUBB4A (0.69) MEN1KMT2ACYP1A1CYP1A2CYP1B1
SCHEMBL3727374 0.92 TUBB4A (0.80) MEN1KMT2ACYP1A1CYP1A2CYP1B1
SCHEMBL3735023 0.90 MEN1 (0.68) MEN1KMT2ACYP1A1CYP1A2CYP1B1
Potassium Ion SCHEMBL29466606 0.90 MEN1 (0.68) MEN1KMT2ACYP1A1CYP1A2CYP1B1
3,3'-O-Dimethylquercetin SCHEMBL1252850 0.89 ABCG2 (0.84) MEN1KMT2ACYP1A1CYP1A2CYP1B1
3,3'-O-Dimethylquercetin SCHEMBL29443769 0.89 ABCG2 (0.84) MEN1KMT2ACYP1A1CYP1A2CYP1B1
3,3'-O-Dimethylquercetin SCHEMBL25243901 0.88 ABCG2 (0.83) MEN1KMT2ACYP1A1CYP1A2CYP1B1
SCHEMBL3403244 0.88 POLH (0.72) MEN1KMT2ACYP1A1CYP1A2CYP1B1
SCHEMBL29897597 0.88 POLH (0.72) MEN1KMT2ACYP1A1CYP1A2CYP1B1
SCHEMBL8015255 0.86 TUBB4A (0.67) MEN1KMT2ACYP1A1CYP1A2CYP1B1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100279961-A1 PHARMACEUTICAL COMPOSITION HAVING A TRIHYDROXY-CHROMENONE DERIVATIVE ANALYTICON DISCOVERY GMBH (DE) 2010-11-04 US claimed
US-20190085007-A1 4-methylcatechol Derivatives and Uses Thereof Thanares GmbH (DE) 2019-03-21 US disclosed
US-20160347782-A1 4-methylcatechol Derivatives and Uses Thereof Thanares GmbH (DE) 2016-12-01 US disclosed
US-20100279961-A1 PHARMACEUTICAL COMPOSITION HAVING A TRIHYDROXY-CHROMENONE DERIVATIVE ANALYTICON DISCOVERY GMBH (DE) 2010-11-04 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 (3 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-20100279961-A1 PHARMACEUTICAL COMPOSITION HAVING A TRIHYDROXY-CHROMENONE DERIVATIVE UGT2B17, UGT1A3, UGT1A4 MEN1 2912/4885KMT2A 4018/4885CYP1A1 80/4885
US-20190085007-A1 4-methylcatechol Derivatives and Uses Thereof ST3GAL3, GALE, DPP4 MEN1 2681/4885KMT2A 454/4885CYP1A1 360/4885
US-20160347782-A1 4-methylcatechol Derivatives and Uses Thereof ST3GAL3, GALE, DPP4 MEN1 2681/4885KMT2A 454/4885CYP1A1 360/4885

“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.