SCHEMBL20764007

SCHEMBL20764007

O=C(NCc1ccc(Cl)cc1)c1ccc(-c2ccc(O)cc2)o1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.66
KDM4E B2RXH2 5/20 0.66
LMNA P02545 5/20 0.66
RECQL P46063 1/20 0.65
HPGD P15428 6/20 0.65
MAPT P10636 3/20 0.65
POLB P06746 2/20 0.65
HTT P42858 2/20 0.65
TP53 P04637 1/20 0.65
TSHR P16473 1/20 0.65
ALOX12 P18054 1/20 0.65
MAPK1 P28482 1/20 0.65
HSD17B10 Q99714 1/20 0.65
THRB P10828 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
PTPN1 P18031 1/20 0.54
ERCC5 P28715 1/20 0.53
FEN1 P39748 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
SCHEMBL20764223 0.84 ALDH1A1 (0.60) ALDH1A1KDM4ELMNARECQLHPGD
SCHEMBL4896863 0.84 ALDH1A1 (0.69) ALDH1A1KDM4ELMNARECQLHPGD
SCHEMBL4893495 0.81 ALDH1A1 (0.61) ALDH1A1KDM4ELMNARECQLHPGD
SCHEMBL10747713 0.79 ALDH1A1 (0.68) ALDH1A1KDM4ELMNARECQLHPGD
SCHEMBL23389159 0.79 ALDH1A1 (0.60) ALDH1A1KDM4ELMNARECQLHPGD
SCHEMBL8337079 0.79 KDM4E (0.60) ALDH1A1KDM4ELMNARECQLHPGD
SCHEMBL23389161 0.79 ALDH1A1 (0.60) ALDH1A1KDM4ELMNARECQLHPGD
SCHEMBL4894773 0.78 KDM4E (0.57) ALDH1A1KDM4ELMNARECQLHPGD
SCHEMBL4896975 0.78 KDM4E (0.67) ALDH1A1KDM4ELMNARECQLHPGD
Hydrochloric Acid SCHEMBL23389229 0.78 ALDH1A1 (0.59) ALDH1A1KDM4ELMNARECQLHPGD

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 ALDH1A1 1354/4885KDM4E 1194/4885LMNA 4539/4885
US-11795162-B2 Modulators of the estrogen-related receptor ESR2, GPER1, ESRRG ALDH1A1 2485/4885KDM4E 1278/4885LMNA 4527/4885

“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.