SCHEMBL21787943

SCHEMBL21787943

COC(=O)c1cc(Br)oc1C(C)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 10/20 0.45
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44
TSHR P16473 2/20 0.41
LMNA P02545 1/20 0.41
ALDH1A1 P00352 3/20 0.41
GAA P10253 1/20 0.41
BRD2 P25440 1/20 0.41
BRD3 Q15059 1/20 0.41
BRDT Q58F21 1/20 0.41
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA7 P43166 2/20 0.40
CA9 Q16790 2/20 0.40
CA14 Q9ULX7 2/20 0.40
PDK2 Q15119 1/20 0.40
PDK4 Q16654 1/20 0.40

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
SCHEMBL21787790 0.80 BRD4 (0.70) BRD4KMT2AGAABRD2BRD3
SCHEMBL21787789 0.80 BRD4 (0.70) BRD4KMT2AGAABRD2BRD3
SCHEMBL28593397 0.79 KMT2A (0.40) HTTKMT2ATSHRALDH1A1GAA
SCHEMBL21776792 0.75 ALDH1A1 (0.46) BRD4KMT2ATSHRLMNAALDH1A1
SCHEMBL11502243 0.72 CA12 (0.54) KMT2ATSHRLMNAALDH1A1GAA
SCHEMBL28601048 0.72 KMT2A (0.38) HTTKMT2ATSHRLMNAALDH1A1
SCHEMBL21787942 0.72 TYR (0.42) BRD4HTTTSHRALDH1A1GAA
SCHEMBL4068453 0.71 TSHR (0.50) KMT2ATSHRLMNAALDH1A1GAA
SCHEMBL9065747 0.70 TSHR (0.42) BRD4HTTKMT2ATSHRLMNA
SCHEMBL21788050 0.70 BRD4 (0.48) BRD4ALDH1A1GAABRD2BRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210346336-A1 FURAN DERIVATIVES AS BROMODOMAIN INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2021-11-11 US disclosed
WO-2020043821-A1 FURAN DERIVATIVES AS BROMODOMAIN INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2020-03-05 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-20210346336-A1 FURAN DERIVATIVES AS BROMODOMAIN INHIBITORS BRD4, BRD3, BRDT BRD4 1/4885HTT 943/4885KMT2A 707/4885

“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.