SCHEMBL2380622

SCHEMBL2380622

COc1cc(C=O)ccc1Oc1ccc(C#N)cc1Br

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESRRA P11474 7/20 0.64
▸ ALDH1A1 P00352 5/20 0.54
▸ TSHR P16473 1/20 0.54
▸ TTR P02766 1/20 0.51
▸ AR P10275 3/20 0.49
▸ FDPS P14324 1/20 0.48
▸ MAPT P10636 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ ESRRB O95718 1/20 0.45
▸ ESR1 P03372 1/20 0.45
▸ ESRRG P62508 1/20 0.45
▸ ESR2 Q92731 1/20 0.45
▸ AOX1 Q06278 1/20 0.43
▸ TRIM24 O15164 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ ALDH5A1 P51649 1/20 0.43
▸ ABAT P80404 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
SCHEMBL2380981 0.84 ESRRA (0.64) ESRRAALDH1A1TSHRTTRAR
SCHEMBL2696935 0.82 TTR (0.67) ESRRAALDH1A1TSHRTTRAR
SCHEMBL647771 0.81 ESRRA (0.66) ESRRAALDH1A1TSHRTTRAR
SCHEMBL365516 0.80 SLC6A4 (0.64) ESRRATTRARSLC6A4
SCHEMBL1869030 0.80 ALDH1A1 (0.84) ALDH1A1TSHRTTRFDPSMAPT
SCHEMBL2380980 0.79 ESRRA (1.00) ESRRAESRRBESR1ESRRGESR2
SCHEMBL2380977 0.79 ESRRA (1.00) ESRRAESRRBESR1ESRRGESR2
SCHEMBL8165027 0.79 ESRRA (1.00) ESRRAESRRBESR1ESRRGESR2
SCHEMBL30118209 0.78 AR (0.51) ESRRAALDH1A1TTRARHPGD
SCHEMBL708391 0.78 AR (0.51) ESRRAALDH1A1TTRARHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8344009-B2 Substituted phenoxy thiazolidinediones as estrogen related receptor-á modulators JANSSEN PHARMACEUTICA, NV (BE) 2013-01-01 — — US disclosed
US-20110237625-A1 SUBSTITUTED PHENOXY THIAZOLIDINEDIONES AS ESTROGEN RELATED RECEPTOR-á MODULATORS JANSSEN PHARAMCEUTICA N.V. (BE) 2011-09-29 — — US disclosed
US-7846953-B2 Substituted phenoxy thiazolidinediones as estrogen related receptor-α modulators JANSSEN PHARMACEUTICA, NV (BE) 2010-12-07 — — US disclosed
EP-2129668-A1 SUBSTITUTED PHENOXY THIAZOLIDINEDIONES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS Janssen Pharmaceutica N.V. (BE) 2009-12-09 — — EP disclosed
US-20090111855-A1 SUBSTITUTED PHENOXY THIAZOLIDINEDIONES AS ESTROGEN RELATED RECEPTOR-alpha MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-30 — — US disclosed
WO-2008109727-A1 SUBSTITUTED PHENOXY THIAZOLIDINEDIONES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-09-12 — — 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 (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-20110237625-A1 SUBSTITUTED PHENOXY THIAZOLIDINEDIONES AS ESTROGEN RELATED RECEPTOR-á MODULATORS ESR2, ESRRA, ESRRB ESRRA 2/4885ALDH1A1 2147/4885TSHR 257/4885
US-20090111855-A1 SUBSTITUTED PHENOXY THIAZOLIDINEDIONES AS ESTROGEN RELATED RECEPTOR-alpha MODULATORS ESR2, ESRRA, ESRRG ESRRA 2/4885ALDH1A1 2124/4885TSHR 282/4885

“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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