SCHEMBL3155331

SCHEMBL3155331

COc1cc(Br)c(OC)c(Br)c1OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.54
CA4 P22748 4/20 0.54
CA1 P00915 5/20 0.52
CA6 P23280 3/20 0.52
TSHR P16473 1/20 0.48
APOBEC3A P31941 1/20 0.48
HTT P42858 1/20 0.48
APOBEC3G Q9HC16 1/20 0.48
MAPT P10636 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
POLB P06746 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ACHE P22303 1/20 0.46
PTPN1 P18031 1/20 0.46
ALOX15 P16050 1/20 0.46
ALOX12 P18054 1/20 0.46
TUBB1 Q9H4B7 3/20 0.44
CYP3A4 P08684 1/20 0.44
CA9 Q16790 1/20 0.44
TUBB4A P04350 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
SCHEMBL28030420 0.87 CA2 (0.57) CA2CA4CA1CA6TSHR
SCHEMBL28870388 0.81 CA2 (0.67) CA2CA4CA1CA6TSHR
SCHEMBL7213113 0.78 CA2 (0.50) CA2CA4TSHRAPOBEC3AHTT
SCHEMBL17388711 0.77 CA2 (0.50) CA2CA4CA1CA6TSHR
SCHEMBL9109330 0.76 TUBB1 (0.47) CA2CA4CA1CA6TSHR
SCHEMBL5236856 0.76 TUBB1 (0.58) CA2CA4CA1TSHRAPOBEC3A
SCHEMBL1729022 0.76 MAPT (0.48) CA2CA4CA1CA6TSHR
SCHEMBL28426250 0.75 CA2 (0.58) CA2CA4CA1CA6TSHR
SCHEMBL27631190 0.74 ACHE (0.50) CA2CA4CA1CA6TSHR
SCHEMBL9352550 0.74 ACHE (0.50) CA2CA4CA1CA6TSHR

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
EP-1618102-B1 SUBSTITUTED BENZOPYRANS AS SELECTIVE ESTROGEN RECEPTOR-BETA AGONISTS LILLY CO ELI (US) 2010-02-10 EP disclosed
US-7279499-B2 Substituted benzopyrans as selective estrogen receptor-beta agonists ELI LILLY AND COMPANY (US) 2007-10-09 US disclosed
US-20060199858-A1 Substituted benzopyrans as selective estrogen receptor-beta agonists ELI LILLY AND COMPANY, AN INDIANA CORPORATION 2006-09-07 US disclosed
EP-1618102-A1 SUBSTITUTED BENZOPYRANS AS SELECTIVE ESTROGEN RECEPTOR-BETA AGONISTS ELI LILLY AND COMPANY (US) 2006-01-25 EP disclosed
WO-2004094401-A1 SUBSTITUTED BENZOPYRANS AS SELECTIVE ESTROGEN RECEPTOR-BETA AGONISTS ELI LILLY AND COMPANY (US) 2004-11-04 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-20060199858-A1 Substituted benzopyrans as selective estrogen receptor-beta agonists GPER1, ESR2, ESR1 CA2 2077/4885CA4 2826/4885CA1 4483/4885

“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.