SCHEMBL701249

SCHEMBL701249

COc1cc(C(=O)O)cc2c1C(=O)OC21c2ccc(O)c(Cl)c2Oc2c1ccc(O)c2Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMAD3 P84022 1/20 0.44
HTT P42858 1/20 0.40
PTGS2 P35354 1/20 0.39
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA4 P22748 2/20 0.37
CA6 P23280 2/20 0.37
CA7 P43166 2/20 0.37
CA9 Q16790 2/20 0.37
CA14 Q9ULX7 2/20 0.37
GNG2 P59768 1/20 0.37
GNB1 P62873 1/20 0.37
CA3 P07451 1/20 0.37
PKM P14618 1/20 0.37
CA5A P35218 1/20 0.37
CA5B Q9Y2D0 1/20 0.37
CNR2 P34972 2/20 0.37
TPMT P51580 3/20 0.37
ALDH1A1 P00352 2/20 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
SCHEMBL4478640 0.89 SMAD3 (0.42) SMAD3HTTGNG2GNB1ALDH1A1
SCHEMBL1230563 0.81 SMAD3 (0.44) SMAD3HTTCA12CA1CA2
SCHEMBL6026564 0.80 SMAD3 (0.41) SMAD3HTTPTGS2CA12CA1
SCHEMBL8207884 0.79 SMAD3 (0.48) SMAD3GNG2GNB1ALDH1A1THRB
SCHEMBL29401708 0.78 GNG2 (0.50) SMAD3HTTPTGS2CA12CA1
SCHEMBL15019692 0.78 GNG2 (0.50) SMAD3HTTPTGS2CA12CA1
SCHEMBL17001191 0.75 SMAD3 (0.45) SMAD3CA12CA1CA2CA7
SCHEMBL3896904 0.74 PTGS2 (0.36) SMAD3HTTPTGS2CA12CA1
SCHEMBL20526344 0.73 SMAD3 (0.41) SMAD3HTTGNG2GNB1PKM
SCHEMBL29838713 0.73 MEN1 (0.39) HTTPTGS2CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210214391-A1 Peptide Activating Agent INTERK PEPTIDE THERAPEUTICS LIMITED (AU) 2021-07-15 US disclosed
US-20120315629-A1 Cloning and Expression of arNOX Protein Transmembrane 9 Superfamily (TM9SF), Methods and Utility Nox Technologies ,Inc. (US) 2012-12-13 US disclosed
US-8124725-B2 PDGF-Rβ binders GENERAL ELECTRIC COMPANY (US) 2012-02-28 US disclosed
US-20090191124-A1 PDGF-RBeta BINDERS GENERAL ELECTRIC COMPANY (US) 2009-07-30 US disclosed
US-20090064350-A1 DETECTION AND TREATMENT OF DRUG ASSOCIATED ANGIOEDEMA DEWALD GEORG 2009-03-05 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-20090191124-A1 PDGF-RBeta BINDERS PDGFRB, PDGFA, PDGFRA SMAD3 179/4885HTT 1773/4885PTGS2 3226/4885
US-20210214391-A1 Peptide Activating Agent LCK, CD69, VIP SMAD3 3620/4885HTT 3995/4885PTGS2 4385/4885

“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.