SCHEMBL2999528

SCHEMBL2999528

COc1cc(OC)cc(-c2cccc(C=O)c2O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 13/20 0.54
TLR2 O60603 1/20 0.54
TLR1 Q15399 1/20 0.54
TLR6 Q9Y2C9 1/20 0.54
ABL1 P00519 4/20 0.51
ABCB1 P08183 4/20 0.51
BCR P11274 4/20 0.51
TRIM24 O15164 1/20 0.46
TYR P14679 1/20 0.46
TRIM33 Q9UPN9 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CYP1A1 P04798 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2E1 P05181 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C8 P10632 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2A6 P11509 1/20 0.44
CYP2C9 P11712 1/20 0.44

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
SCHEMBL4823238 0.83 ABL1 (0.58) ERN1ABL1ABCB1BCRTRIM24
SCHEMBL15094048 0.80 TRIM24 (0.61) ERN1TLR2TLR1TLR6TRIM24
SCHEMBL29658267 0.79 ERN1 (0.50) ERN1TLR2TLR1TLR6TRIM24
SCHEMBL27595415 0.79 ERN1 (0.50) ERN1TLR2TLR1TLR6TRIM24
SCHEMBL31152506 0.75 ERN1 (0.67) ERN1TLR2TLR1TLR6TRIM24
SCHEMBL16439936 0.75 ERN1 (0.67) ERN1TLR2TLR1TLR6TRIM24
SCHEMBL5192273 0.75 ERN1 (0.52) ERN1ABL1ABCB1BCRTRIM24
SCHEMBL31364059 0.74 ERN1 (0.55) ERN1TLR2TLR1TLR6TRIM24
SCHEMBL1043113 0.74 ERN1 (0.55) ERN1TLR2TLR1TLR6TRIM24
SCHEMBL28282933 0.74 ERN1 (0.56) ERN1TLR2TLR1TLR6TRIM24

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-8394794-B2 Therapeutic compounds REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2013-03-12 US disclosed
US-20100197686-A1 THERAPEUTIC COMPOUNDS REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2010-08-05 US disclosed
WO-2008118802-A1 THERAPEUTIC COMPOUNDS REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2008-10-02 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 (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-20100197686-A1 THERAPEUTIC COMPOUNDS ABCC1, ABCB1, MCL1 ERN1 2730/4885TLR2 4298/4885TLR1 3942/4885

“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.