SCHEMBL21908522

SCHEMBL21908522

COc1cc(Oc2ccc(N3C(=O)NC(C)(C)C3O)cc2)ccc1C#N

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AR P10275 9/20 0.51
ESRRA P11474 4/20 0.37
SLC22A12 Q96S37 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36
KMT2A Q03164 1/20 0.36
CHEK1 O14757 1/20 0.35
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL1979660 0.77 AR (0.54) ARESRRASLC22A12
SCHEMBL21116323 0.76 AR (0.53) ARESRRASLC22A12CHEK1POLB
SCHEMBL12594179 0.72 AR (0.53) AR
SCHEMBL1978478 0.70 AR (0.51) ARESRRAALDH1A1MAPTKMT2A
SCHEMBL18609983 0.69 AR (0.47) ARESRRASLC22A12L3MBTL1
SCHEMBL31060324 0.69 AR (1.00) ARALDH1A1POLBGAA
SCHEMBL17354615 0.69 AR (1.00) ARALDH1A1POLBGAA
SCHEMBL1644481 0.68 AR (0.70) AR
SCHEMBL12727448 0.68 AR (0.70) AR
SCHEMBL21963833 0.68 AR (0.74) ARSLC22A12ALDH1A1POLBGAA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10632118-B2 Imidazolidinedione derivatives AUTIFONY THERAPEUTICS LIMITED (GB) 2020-04-28 US 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 (1 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-10632118-B2 Imidazolidinedione derivatives KCND3, KCNK3, KCNA3 AR 4780/4885ESRRA 2386/4885SLC22A12 1906/4885

“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.