SCHEMBL20876246

SCHEMBL20876246

O=C(O)c1ccc2c(c1)C(CO)(c1ccccc1)CO2

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.47
RARA P10276 4/20 0.43
RARB P10826 4/20 0.43
RARG P13631 4/20 0.43
ALDH1A1 P00352 2/20 0.42
MAPK1 P28482 1/20 0.42
CNR2 P34972 1/20 0.41
ALOX5 P09917 1/20 0.40
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
SRD5A2 P31213 2/20 0.36
CTNNB1 P35222 2/20 0.36
WNT3A P56704 1/20 0.36
LTB4R Q15722 1/20 0.36
LTB4R2 Q9NPC1 1/20 0.36
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL20876234 0.88 BRD4 (0.48) BRD4RARARARBRARGALDH1A1
SCHEMBL29595685 0.86 RARB (0.47) BRD4RARARARBRARGALDH1A1
SCHEMBL20887711 0.86 RARB (0.47) BRD4RARARARBRARGALDH1A1
SCHEMBL28741192 0.79 BRD4 (0.39) BRD4ALDH1A1KDM4ERAB9ASMN1; SMN2
SCHEMBL28741195 0.79 BRD4 (0.39) BRD4ALDH1A1KDM4ERAB9ASMN1; SMN2
SCHEMBL20876267 0.78 BRD4 (0.50) BRD4ALDH1A1ALOX5PTGS1PTGS2
SCHEMBL20876244 0.78 BRD4 (0.52) BRD4RARARARBRARGALDH1A1
SCHEMBL23705376 0.76 RARB (0.51) RARARARBRARGALDH1A1MAPK1
SCHEMBL20887547 0.76 RARB (0.47) BRD4RARARARBRARGALDH1A1
SCHEMBL29596210 0.76 RARB (0.47) BRD4RARARARBRARGALDH1A1

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-11319307-B2 2,3-dihydrobenzohurans as bromodomain inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2022-05-03 US disclosed
US-20200291009-A1 2,3-DIHYDROBENZOFURANS AS BROMODOMAIN INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2020-09-17 US disclosed
EP-3692036-A1 2,3-DIHYDROBENZOFURANS AS BOROMODOMAIN INHIBITORS Glaxosmithkline Intellectual Property (No. 2) Limited (GB) 2020-08-12 EP disclosed
WO-2019068782-A1 2,3-DIHYDROBENZOFURANS AS BOROMODOMAIN INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2019-04-11 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 (2 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-20200291009-A1 2,3-DIHYDROBENZOFURANS AS BROMODOMAIN INHIBITORS BRD4, BRPF3, BRD3 BRD4 1/4885RARA 3293/4885RARB 2176/4885
US-11319307-B2 2,3-dihydrobenzohurans as bromodomain inhibitors BRD4, BRD3, BRPF3 BRD4 1/4885RARA 3071/4885RARB 1878/4885

“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.