SCHEMBL20139487

SCHEMBL20139487

COc1cc(C)c(C(=O)c2ccc3c(c2)CC3)cc1Br

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
CYP1A2 P05177 3/20 0.46
CYP2C19 P33261 3/20 0.46
HPGD P15428 2/20 0.46
CYP2D6 P10635 1/20 0.46
MAPT P10636 5/20 0.43
CYP3A4 P08684 2/20 0.43
KDM4E B2RXH2 1/20 0.43
CYP2C9 P11712 1/20 0.41
TSHR P16473 1/20 0.41
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
HTT P42858 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
SLC22A6 Q4U2R8 1/20 0.39
SLC22A8 Q8TCC7 1/20 0.39
NPC1 O15118 2/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL20139719 0.81 RXRA (0.43) ALDH1A1HPGDMAPTKDM4EHTR2A
SCHEMBL20139371 0.81 ALDH1A1 (0.38) ALDH1A1HPGDMAPTKDM4EHTT
SCHEMBL7149910 0.80 HPGD (0.66) ALDH1A1CYP1A2CYP2C19HPGDCYP2D6
SCHEMBL23221123 0.80 MAPT (0.55) ALDH1A1CYP1A2CYP2C19HPGDCYP2D6
SCHEMBL23221118 0.80 NPC1 (0.60) ALDH1A1CYP1A2CYP2C19HPGDCYP2D6
SCHEMBL20139994 0.77 MAPT (0.47) ALDH1A1CYP1A2CYP2C19HPGDMAPT
SCHEMBL20139421 0.77 ABCB1 (0.51) ALDH1A1CYP1A2CYP2C19HPGDCYP2D6
SCHEMBL1539328 0.73 ALDH1A1 (0.49) ALDH1A1CYP1A2CYP2C19HPGDCYP2D6
SCHEMBL1539191 0.73 LCK (0.59) ALDH1A1CYP1A2CYP2C19HPGDCYP2D6
SCHEMBL5494653 0.72 HPGD (0.57) ALDH1A1CYP1A2CYP2C19HPGDCYP2D6

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 ALDH1A1 2392/4885CYP1A2 298/4885CYP2C19 1012/4885

“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.