SCHEMBL20746208

SCHEMBL20746208

CC(C)c1cccc(-c2ccc(C(=O)Nc3ccc(O)cc3)s2)c1

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ESRRG P62508 16/20 0.69
▸ ESR1 P03372 4/20 0.65
▸ ESR2 Q92731 2/20 0.65
▸ RXFP1 Q9HBX9 2/20 0.58
▸ NPC1 O15118 1/20 0.58
▸ PPARG P37231 1/20 0.58
▸ RAB9A P51151 1/20 0.58
▸ NCOA2 Q15596 1/20 0.58
▸ NCOA1 Q15788 1/20 0.58
▸ NCOA3 Q9Y6Q9 1/20 0.58
▸ TP53 P04637 2/20 0.55
▸ MAPT P10636 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53

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
SCHEMBL20764071 0.89 ESRRG (0.71) ESRRGESR1ESR2RXFP1NPC1
SCHEMBL20764236 0.88 ESRRG (0.74) ESRRGESR1ESR2RXFP1NPC1
SCHEMBL20764094 0.87 NPC1 (0.56) ESRRGESR1ESR2RXFP1NPC1
SCHEMBL20764352 0.87 ESRRG (0.69) ESRRGESR1ESR2RXFP1NPC1
SCHEMBL20764072 0.82 HDAC3 (0.54) ESRRGESR1ESR2RXFP1NPC1
SCHEMBL20764079 0.81 ESRRG (1.00) ESRRGESR1ESR2NPC1PPARG
SCHEMBL20764222 0.80 ESRRG (0.72) ESRRGESR1ESR2RXFP1NPC1
SCHEMBL20764084 0.80 ESRRG (0.74) ESRRGESR1ESR2RXFP1NPC1
SCHEMBL20764259 0.79 ESRRG (0.72) ESRRGESR1ESR2RXFP1NPC1
SCHEMBL26727073 0.79 NPC1 (0.74) ESRRGESR1ESR2RXFP1NPC1

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 7 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-11795162-B2 Modulators of the estrogen-related receptor SAINT LOUIS UNIVERSITY (US) 2023-10-24 — — US disclosed
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
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
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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