SCHEMBL5424620

SCHEMBL5424620

COc1ccc(OC)c(C=CC(=O)c2cc(OC)c(O)c(OC)c2)c1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 1/20 0.79
▸ MAPT P10636 2/20 0.70
▸ SMN1; SMN2 Q16637 2/20 0.70
▸ KDM4E B2RXH2 1/20 0.70
▸ LMNA P02545 1/20 0.70
▸ ATM Q13315 1/20 0.70
▸ L3MBTL1 Q9Y468 1/20 0.70
▸ PDE4A P27815 1/20 0.67
▸ PDE4B Q07343 1/20 0.67
▸ PDE4C Q08493 1/20 0.67
▸ PDE4D Q08499 1/20 0.67
▸ JUN P05412 1/20 0.67
▸ NFKB1 P19838 1/20 0.67
▸ NPC1 O15118 2/20 0.62
▸ POLB P06746 1/20 0.61
▸ TNFRSF1A P19438 2/20 0.60
▸ CAPN1 P07384 1/20 0.60
▸ GABRA3 P34903 1/20 0.60
▸ GABRA2 P47869 1/20 0.60
▸ GABRB2 P47870 1/20 0.60

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
SCHEMBL5424613 1.00 ABCG2 (0.79) ABCG2MAPTSMN1; SMN2KDM4ELMNA
SCHEMBL5433441 0.88 ABCG2 (0.73) ABCG2MAPTSMN1; SMN2KDM4ELMNA
SCHEMBL5433445 0.88 ABCG2 (0.73) ABCG2MAPTSMN1; SMN2KDM4ELMNA
SCHEMBL19468567 0.87 ABCG2 (0.86) ABCG2MAPTSMN1; SMN2KDM4ELMNA
SCHEMBL7185011 0.87 ABCG2 (0.97) ABCG2MAPTSMN1; SMN2KDM4ELMNA
SCHEMBL7185006 0.87 ABCG2 (0.97) ABCG2MAPTSMN1; SMN2KDM4ELMNA
SCHEMBL6352783 0.86 ABCG2 (0.89) ABCG2MAPTSMN1; SMN2KDM4ELMNA
SCHEMBL6352780 0.86 ABCG2 (0.89) ABCG2MAPTSMN1; SMN2KDM4ELMNA
SCHEMBL7180833 0.84 ABCG2 (0.86) ABCG2MAPTSMN1; SMN2KDM4ELMNA
SCHEMBL7180829 0.84 ABCG2 (0.86) ABCG2MAPTSMN1; SMN2KDM4ELMNA

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
WO-2017132135-A1 ESTROGEN RECEPTOR ALPHA COLIGANDS, AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-08-03 — — WO disclosed
US-20070254859-A1 Compounds exhibiting efflux inhibitor activity and composition and uses thereof EASTMAN CHEMICAL COMPANY 2007-11-01 — — 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-20070254859-A1 Compounds exhibiting efflux inhibitor activity and composition and uses thereof ABCC4, NCOA4, NR4A3 ABCG2 5/4885MAPT 4566/4885SMN1; SMN2 3973/4885

“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.

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