SCHEMBL20764014

SCHEMBL20764014

O=C(Nc1cccc(F)c1)c1ncc(-c2cccc(O)c2)s1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ESRRG P62508 12/20 0.67
ESR1 P03372 5/20 0.54
ESR2 Q92731 3/20 0.54
TP53 P04637 1/20 0.53
MAPT P10636 1/20 0.53
HSD17B1 P14061 4/20 0.52
HSD17B2 P37059 4/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C9 P11712 1/20 0.52
NPC1 O15118 1/20 0.49
HPGD P15428 1/20 0.49
RAB9A P51151 1/20 0.49
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL20746209 0.90 ESRRG (0.66) ESRRGESR1ESR2TP53MAPT
SCHEMBL20764036 0.81 ESRRG (1.00) ESRRGESR1ESR2TP53MAPT
SCHEMBL20764351 0.79 ESRRG (0.67) ESRRGESR1ESR2TP53HSD17B1
SCHEMBL20746254 0.78 FYN (0.49) ESRRGESR1ESR2TP53MAPT
SCHEMBL20746117 0.77 HPGD (0.52) ESRRGESR1ESR2TP53MAPT
SCHEMBL20764225 0.76 ESRRG (0.64) ESRRGESR1MAPTNPC1RAB9A
SCHEMBL20764010 0.76 ESRRG (0.91) ESRRGESR1ESR2TP53MAPT
SCHEMBL17731911 0.75 MEN1 (0.69) ESRRGTP53MAPTCYP3A4NPC1
SCHEMBL20764057 0.72 ESRRG (0.76) ESRRGESR1ESR2TP53MAPT
SCHEMBL5048822 0.71 HDAC6 (0.56)

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.