SCHEMBL4708988

SCHEMBL4708988

COCCc1cc(=O)oc2cc(O[Si](C)(C)C(C)(C)C)ccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 2/20 0.54
▸ CA1 P00915 2/20 0.54
▸ CA9 Q16790 2/20 0.54
▸ CYP2D6 P10635 2/20 0.49
▸ KDM4E B2RXH2 9/20 0.48
▸ ALDH1A1 P00352 7/20 0.48
▸ HPGD P15428 5/20 0.48
▸ GAA P10253 2/20 0.48
▸ HSD17B10 Q99714 2/20 0.48
▸ CYP19A1 P11511 3/20 0.48
▸ LCK P06239 1/20 0.47
▸ HSD17B3 P37058 1/20 0.45
▸ NPSR1 Q6W5P4 2/20 0.45
▸ PKM P14618 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ LMNA P02545 1/20 0.44
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43

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
SCHEMBL4713075 0.91 CA12 (0.54) CA12CA1CA9CYP2D6KDM4E
SCHEMBL4710499 0.87 CA12 (0.55) CA12CA1CA9CYP2D6KDM4E
SCHEMBL4712795 0.78 ALDH1A1 (0.64) CA12CA1CA9KDM4EALDH1A1
SCHEMBL4711653 0.78 CA12 (0.45) CA12CA1CA9KDM4EALDH1A1
SCHEMBL30043665 0.75 CA1 (0.61) CA12CA1CA9KDM4EALDH1A1
SCHEMBL840971 0.75 CA1 (0.61) CA12CA1CA9KDM4EALDH1A1
SCHEMBL17923729 0.74 PREP (0.41) CA12CA1CA9CYP2D6
SCHEMBL24623215 0.73 CYP2D6 (0.63) CA12CA1CA9CYP2D6KDM4E
SCHEMBL9797535 0.73 CYP2D6 (0.68) CA12CA1CA9CYP2D6KDM4E
SCHEMBL29975674 0.73 CYP2D6 (0.68) CA12CA1CA9CYP2D6KDM4E

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
EP-1812417-B1 NOVEL 2H-CHROMENE DERIVATIVES AS SELECTIVE ESTROGEN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2008-10-29 — — EP disclosed
EP-1812417-A1 NOVEL 2H-CHROMENE DERIVATIVES AS SELECTIVE ESTROGEN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-08-01 — — EP disclosed
US-20060166933-A1 Novel 2H-chromene derivatives as selective estrogen receptor modulators JANSSEN PHARMACEUTICA N.V. (BE) 2006-07-27 — — US disclosed
WO-2006055694-A1 NOVEL 2H-CHROMENE DERIVATIVES AS SELECTIVE ESTROGEN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-05-26 — — 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-20060166933-A1 Novel 2H-chromene derivatives as selective estrogen receptor modulators ESR2, ESR1, GPER1 CA12 3325/4885CA1 4266/4885CA9 3943/4885

“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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