SCHEMBL20140072

SCHEMBL20140072

COc1ccc(Br)cc1C(O)c1ccc2c(c1)CC2

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HSP90AA1 P07900 1/20 0.40
GAA P10253 1/20 0.40
TOP2A P11388 1/20 0.38
TOP2B Q02880 1/20 0.38
HPGD P15428 1/20 0.38
LMNA P02545 1/20 0.34
PRMT5 O14744 1/20 0.34
ADRA2A P08913 1/20 0.33
ADRA1A P35348 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
LPAR1 Q92633 1/20 0.33
PPARG P37231 1/20 0.33
PPARD Q03181 1/20 0.33
PPARA Q07869 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
SCHEMBL5752891 0.84 HPGD (0.43) KMT2AGAATOP2ATOP2BHPGD
SCHEMBL20139400 0.81 KMT2A (0.42) KMT2AALDH1A1HSP90AA1GAAPRMT5
SCHEMBL20140293 0.80 TOP2A (0.36) KMT2AALDH1A1HSP90AA1GAATOP2A
SCHEMBL20139699 0.80 HPGD (0.44) KMT2AALDH1A1HSP90AA1GAAHPGD
SCHEMBL20139635 0.80 ALDH1A1 (0.36) KMT2AALDH1A1TOP2ATOP2BHPGD
SCHEMBL20139978 0.78 TOP2A (0.41) KMT2AALDH1A1HSP90AA1GAATOP2A
SCHEMBL20139416 0.78 ALDH1A1 (0.39) KMT2AALDH1A1HSP90AA1GAAPRMT5
SCHEMBL20139705 0.78 ALDH1A1 (0.40) KMT2AALDH1A1HSP90AA1GAA
SCHEMBL20139451 0.78 KMT2A (0.42) KMT2AALDH1A1HSP90AA1GAALMNA
SCHEMBL20139974 0.76 TOP2A (0.36) KMT2AALDH1A1HSP90AA1GAATOP2A

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-10815210-B2 Benzocyclobutane derivatives useful as dual SGLT1 / SGLT2 modulators JANSSEN PHARMACEUTICA NV (BE) 2020-10-27 US disclosed
WO-2018089449-A1 BENZOCYCLOBUTANE DERIVATIVES USEFUL AS DUAL SGLT1/SGLT2 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2018-05-17 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-10815210-B2 Benzocyclobutane derivatives useful as dual SGLT1 / SGLT2 modulators SLC5A2, SLC5A1, SLC2A2 KMT2A 1219/4885ALDH1A1 2392/4885HSP90AA1 1912/4885

“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.