SCHEMBL29596396

SCHEMBL29596396

COC(=O)c1cc(Br)c2c(c1)[C@@](CO)(c1ccccc1)CO2

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 7/20 0.51
PDK2 Q15119 1/20 0.41
KDM4E B2RXH2 1/20 0.37
TSHR P16473 1/20 0.36
GAA P10253 1/20 0.36
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
ABL1 P00519 1/20 0.35
NOTUM Q6P988 1/20 0.34
ALOX5 P09917 1/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
MAPK10 P53779 1/20 0.34
HIF1A Q16665 1/20 0.34
GABRA5 P31644 1/20 0.34
RARB P10826 1/20 0.33
RARG P13631 1/20 0.33

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
SCHEMBL20887712 1.00 BRD4 (0.51) BRD4PDK2KDM4ETSHRGAA
SCHEMBL29596450 0.91 BRD4 (0.50) BRD4PDK2KDM4ETSHRGAA
SCHEMBL20887580 0.91 BRD4 (0.50) BRD4PDK2KDM4ETSHRGAA
SCHEMBL20876267 0.87 BRD4 (0.50) BRD4ALOX5PTGS1PTGS2
SCHEMBL20887641 0.84 BRD4 (0.71) BRD4PDK2
SCHEMBL29596236 0.84 BRD4 (0.71) BRD4PDK2
SCHEMBL29595716 0.84 BRD4 (0.71) BRD4PDK2
SCHEMBL20887713 0.84 BRD4 (0.71) BRD4PDK2
SCHEMBL20887636 0.84 BRD4 (0.71) BRD4PDK2
SCHEMBL20876245 0.83 BRD4 (0.57) BRD4PDK2KDM4ETSHRGAA

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-11319307-B2 2,3-dihydrobenzohurans as bromodomain inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2022-05-03 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-11319307-B2 2,3-dihydrobenzohurans as bromodomain inhibitors BRD4, BRD3, BRPF3 BRD4 1/4885PDK2 963/4885KDM4E 440/4885

“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.