SCHEMBL20140087

SCHEMBL20140087

COc1cc(OC)c(Cc2ccc3c(c2)C(=O)C3)cc1Br

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
PDE10A Q9Y233 1/20 0.38
CNR2 P34972 1/20 0.38
GPR55 Q9Y2T6 1/20 0.38
HTR2A P28223 6/20 0.38
HTR2C P28335 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
ACHE P22303 2/20 0.36
AADAT Q8N5Z0 1/20 0.36
SLC5A1 P13866 1/20 0.36
SLC5A2 P31639 1/20 0.36

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
SCHEMBL20140145 0.92 PDE10A (0.41) MAPK1KDM4EALDH1A1PDE10ACNR2
SCHEMBL20139728 0.89 SLC5A2 (0.39) PDE10ACNR2GPR55HTR2AHTR2C
SCHEMBL20140009 0.86 KDM4E (0.45) MAPK1KDM4EALDH1A1ACHE
SCHEMBL20139641 0.82 SLC5A1 (0.40) KDM4EALDH1A1PDE10ACNR2GPR55
SCHEMBL20140092 0.81 SLC5A2 (0.41) PDE10ACNR2GPR55HTR2AACHE
SCHEMBL20139995 0.78 KDM4E (0.45) KDM4EALDH1A1PDE10AACHE
SCHEMBL20142219 0.77 FFAR4 (0.40) KDM4EHTR2AHTR2C
SCHEMBL7652993 0.75 HTR2A (0.55) GPR55HTR2AHTR2CTAAR1
SCHEMBL20139674 0.73 IL4I1 (0.36) MAPK1KDM4EALDH1A1HTR2AHTR2C
SCHEMBL20139694 0.73 IL4I1 (0.36) SLC5A1SLC5A2

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 MAPK1 1584/4885KDM4E 2780/4885ALDH1A1 2392/4885

“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.