SCHEMBL25544486

SCHEMBL25544486

CC(=O)Cc1ccc(-c2nccc(OCc3ccccc3)n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALKBH1 Q13686 1/20 0.49
XDH P47989 2/20 0.43
MAOB P27338 2/20 0.42
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
MAPK1 P28482 1/20 0.41
ALOX5 P09917 1/20 0.41
PPARD Q03181 3/20 0.41
PPARA Q07869 3/20 0.41
GRM5 P41594 1/20 0.40
CLK4 Q9HAZ1 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PKM P14618 1/20 0.39
ACACB O00763 1/20 0.39
SMPD1 P17405 1/20 0.39
PRMT5 O14744 1/20 0.39

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
SCHEMBL30080246 0.90 ALKBH1 (0.51) ALKBH1XDHUSP2ALDH1A1CYP1A2
SCHEMBL23767729 0.90 ALKBH1 (0.51) ALKBH1XDHUSP2ALDH1A1CYP1A2
SCHEMBL23767728 0.88 ALKBH1 (0.47) ALKBH1XDHUSP2ALDH1A1CYP1A2
SCHEMBL23767730 0.88 ALKBH1 (0.49) ALKBH1XDHUSP2ALDH1A1CYP1A2
SCHEMBL30080394 0.88 ALKBH1 (0.49) ALKBH1XDHUSP2ALDH1A1CYP1A2
SCHEMBL23753904 0.84 SMN1; SMN2 (0.54) ALKBH1XDHMAOBALDH1A1PPARD
SCHEMBL7464319 0.82 PDE5A (0.50) ALKBH1XDHUSP2ALDH1A1CYP1A2
SCHEMBL25544417 0.78 XDH (0.37) XDHALDH1A1CYP1A2CYP3A4MAPK1
SCHEMBL1163902 0.77 XDH (0.45) ALKBH1XDHMAOBCYP1A2CYP3A4
SCHEMBL30756486 0.74 MAOB (0.53) ALKBH1MAOBALDH1A1ALOX5GRM5

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-20230165846-A1 HETEROCYCLIC GLP-1 AGONISTS GASHERBRUM BIO, INC. 2023-06-01 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-20230165846-A1 HETEROCYCLIC GLP-1 AGONISTS GLP1R, GIPR, GCGR ALKBH1 4349/4885XDH 1324/4885MAOB 2452/4885

“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.