SCHEMBL29595685

SCHEMBL29595685

COC(=O)c1ccc2c(c1)[C@@](CO)(c1ccccc1)CO2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 2/20 0.47
RARG P13631 2/20 0.47
BRD4 O60885 3/20 0.46
ALOX5 P09917 1/20 0.43
RARA P10276 1/20 0.40
CNR2 P34972 1/20 0.40
PDK2 Q15119 1/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 1/20 0.39
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
TRPA1 O75762 3/20 0.39
TSHR P16473 1/20 0.39
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39
EDNRA P25101 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
SCHEMBL20887711 1.00 RARB (0.47) RARBRARGBRD4ALOX5RARA
SCHEMBL20887547 0.91 RARB (0.47) RARBRARGBRD4ALOX5RARA
SCHEMBL29596210 0.91 RARB (0.47) RARBRARGBRD4ALOX5RARA
SCHEMBL20876246 0.86 BRD4 (0.47) RARBRARGBRD4ALOX5RARA
SCHEMBL20887637 0.81 RARB (0.52) RARBRARGBRD4ALOX5RARA
SCHEMBL29595859 0.81 RARB (0.52) RARBRARGBRD4ALOX5RARA
SCHEMBL20887712 0.81 BRD4 (0.51) RARBRARGBRD4ALOX5PDK2
SCHEMBL29596396 0.81 BRD4 (0.51) RARBRARGBRD4ALOX5PDK2
SCHEMBL25514121 0.79 RARB (0.54) RARBRARGALOX5RARACNR2
SCHEMBL20887713 0.78 BRD4 (0.71) BRD4PDK2

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 RARB 1878/4885RARG 2484/4885BRD4 1/4885

“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.