SCHEMBL20764016

SCHEMBL20764016

O=C(Nc1ccc(Cl)cc1)c1ccc(-c2ccc(O)cc2)s1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ESRRG P62508 14/20 1.00
▸ ESR1 P03372 5/20 1.00
▸ ESR2 Q92731 2/20 0.74
▸ MAPKAPK2 P49137 1/20 0.63
▸ KDM4E B2RXH2 2/20 0.60
▸ LMNA P02545 1/20 0.60
▸ SMN1; SMN2 Q16637 1/20 0.60
▸ NPC1 O15118 2/20 0.60
▸ PPARG P37231 2/20 0.60
▸ RAB9A P51151 2/20 0.60
▸ NCOA2 Q15596 1/20 0.60
▸ NCOA1 Q15788 1/20 0.60
▸ NCOA3 Q9Y6Q9 1/20 0.60
▸ PTPN11 Q06124 2/20 0.59
▸ PTPN2 P17706 1/20 0.59
▸ NR2E3 Q9Y5X4 1/20 0.59
▸ NCOR2 Q9Y618 1/20 0.59
▸ PTPN1 P18031 1/20 0.58

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
SCHEMBL20764080 0.87 ESRRG (0.78) ESRRGESR1ESR2MAPKAPK2KDM4E
SCHEMBL20764027 0.87 ESRRG (1.00) ESRRGESR1ESR2NPC1PPARG
SCHEMBL20764004 0.86 ESRRG (1.00) ESRRGESR1ESR2KDM4ELMNA
SCHEMBL20764089 0.86 ESRRG (1.00) ESRRGESR1ESR2KDM4ELMNA
SCHEMBL20764244 0.86 ESRRG (1.00) ESRRGESR1ESR2KDM4ELMNA
SCHEMBL20764056 0.85 ESRRG (1.00) ESRRGESR1ESR2KDM4ESMN1; SMN2
SCHEMBL20764236 0.85 ESRRG (0.74) ESRRGESR1ESR2KDM4ELMNA
SCHEMBL31337285 0.85 ESRRG (1.00) ESRRGESR1ESR2SMN1; SMN2NPC1
SCHEMBL4930772 0.84 ESRRG (0.73) ESRRGESR1ESR2MAPKAPK2KDM4E
SCHEMBL20764102 0.84 ESRRG (0.72) ESRRGESR1ESR2MAPKAPK2KDM4E

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-11795162-B2 Modulators of the estrogen-related receptor SAINT LOUIS UNIVERSITY (US) 2023-10-24 — — US disclosed
US-20200247792-A1 ERR INVERSE AGONISTS SAINT LOUIS UNIVERSITY (US) 2020-08-06 — — US disclosed
WO-2019036562-A1 ERR INVERSE AGONISTS SAINT LOUIS UNIVERSITY (US) 2019-02-21 — — 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-20200247792-A1 ERR INVERSE AGONISTS ESRRA, ESRRB, ESR2 ESRRG 4/4885ESR1 6/4885ESR2 3/4885
US-11795162-B2 Modulators of the estrogen-related receptor ESR2, GPER1, ESRRG ESRRG 3/4885ESR1 4/4885ESR2 1/4885

“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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