SCHEMBL20764019

SCHEMBL20764019

O=C(NCc1ccccc1)c1ccc(-c2cccc(O)c2)s1

nearest known ligand 0.79

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ESRRG P62508 7/20 0.79
HPGDS O60760 5/20 0.67
ACKR3 P25106 3/20 0.64
HSD17B1 P14061 3/20 0.56
HSD17B2 P37059 3/20 0.56
ESR1 P03372 2/20 0.56
ESR2 Q92731 1/20 0.56
HDAC1 Q13547 2/20 0.55
HDAC3 O15379 1/20 0.55
HDAC4 P56524 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55

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
SCHEMBL20764022 0.88 ESRRG (1.00) ESRRGACKR3ESR1HDAC1HDAC3
SCHEMBL20764216 0.86 ESRRG (0.69) ESRRGHPGDSACKR3ESR1ESR2
SCHEMBL31687485 0.82 ACKR3 (0.67) ESRRGHPGDSACKR3ESR1ESR2
SCHEMBL20764262 0.82 ESRRG (0.78) ESRRGACKR3ESR1HDAC1HDAC3
SCHEMBL4930312 0.82 ESRRG (0.74) ESRRGACKR3HDAC1HDAC3HDAC4
SCHEMBL31337398 0.80 NPC1 (0.81) ESRRGHPGDSHSD17B1HSD17B2ESR1
SCHEMBL12496876 0.80 HSD17B1 (0.65) ESRRGHPGDSACKR3HSD17B1HSD17B2
SCHEMBL20764251 0.79 ESRRG (0.73) ESRRGHPGDSACKR3HDAC1HDAC3
SCHEMBL12057090 0.79 ESRRG (0.65) ESRRGHPGDSACKR3HDAC1
SCHEMBL25910317 0.79 ESRRG (0.65) ESRRGACKR3HDAC1HDAC3HDAC4

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 4/4885HPGDS 1408/4885ACKR3 195/4885
US-11795162-B2 Modulators of the estrogen-related receptor ESR2, GPER1, ESRRG ESRRG 3/4885HPGDS 731/4885ACKR3 454/4885

“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.