SCHEMBL23980837

SCHEMBL23980837

OC1CC(c2ccccc2)Oc2cccc(Br)c21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 10/20 0.45
KDM4E B2RXH2 2/20 0.40
HSD17B10 Q99714 2/20 0.40
ADORA3 P0DMS8 2/20 0.40
AR P10275 2/20 0.40
MAOB P27338 2/20 0.40
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
ADRA2A P08913 2/20 0.36
ADRA2B P18089 2/20 0.36
ADRA2C P18825 2/20 0.36
ADRA1D P25100 2/20 0.36
HTR2C P28335 2/20 0.36
ADRA1A P35348 2/20 0.36
ADRA1B P35368 2/20 0.36
NPC1 O15118 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL1267388 0.76 CYP19A1 (0.45) CYP19A1KDM4EHSD17B10ADORA3AR
SCHEMBL30064231 0.76 CYP19A1 (0.45) CYP19A1KDM4EHSD17B10ADORA3AR
SCHEMBL380283 0.76 CYP19A1 (0.45) CYP19A1KDM4EHSD17B10ADORA3AR
SCHEMBL1933397 0.75 CYP19A1 (0.44) CYP19A1ARMAOBALDH1A1HPGD
SCHEMBL18786588 0.72 CYP19A1 (0.53) CYP19A1HSD17B10ARMAOBALDH1A1
SCHEMBL7048656 0.70 CYP19A1 (0.60) CYP19A1HSD17B10ARMAOBCYP3A4
SCHEMBL1933778 0.70 CYP19A1 (0.60) CYP19A1HSD17B10ARMAOBCYP3A4
SCHEMBL23980885 0.69 GID4 (0.42) CYP19A1KDM4EHSD17B10ADORA3AR
SCHEMBL5349568 0.68 CYP19A1 (0.46) CYP19A1KDM4EHSD17B10ADORA3AR
SCHEMBL27018784 0.68 CYP19A1 (0.46) CYP19A1KDM4EHSD17B10ADORA3AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230295154-A1 HETEROCYCLIC GLP-1 AGONISTS SHOUTI INC. 2023-09-21 US disclosed
US-20230295154-A1 HETEROCYCLIC GLP-1 AGONISTS SHOUTI INC. 2023-09-21 US disclosed
CN-115667250-A Heterocyclic GLP-1 agonists 加舒布鲁姆生物公司 2023-01-31 CN disclosed
WO-2021219019-A1 HETEROCYCLIC GLP-1 AGONISTS GASHERBRUM BIO, INC. (US) 2021-11-04 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 (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-20230295154-A1 HETEROCYCLIC GLP-1 AGONISTS GLP1R, GIPR, GCGR CYP19A1 728/4885KDM4E 3398/4885HSD17B10 1362/4885

“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.