SCHEMBL658931

SCHEMBL658931

C=CCOc1cc(C)cc(C)c1Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 5/20 0.39
HPGD P15428 5/20 0.39
GAA P10253 2/20 0.36
TSHR P16473 2/20 0.36
KDM4E B2RXH2 4/20 0.35
MAPT P10636 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAPK1 P28482 1/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LIG1 P18858 1/20 0.34
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSD17B10 Q99714 1/20 0.33
NPC1 O15118 1/20 0.33
PTPN1 P18031 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
SCHEMBL12375200 0.91 MEN1 (0.42) MEN1HTTKMT2AALDH1A1HPGD
SCHEMBL659348 0.81 ALDH1A1 (0.43) MEN1HTTKMT2AALDH1A1HPGD
SCHEMBL23215381 0.79 MEN1 (0.42) MEN1HTTKMT2AALDH1A1HPGD
SCHEMBL29782258 0.79 MEN1 (0.42) MEN1HTTKMT2AALDH1A1HPGD
SCHEMBL7816047 0.78 HPGD (0.51) HTTALDH1A1HPGDGAATSHR
SCHEMBL8161827 0.78 SMN1; SMN2 (0.45) MEN1HTTKMT2AALDH1A1HPGD
SCHEMBL15471440 0.76 ALDH1A1 (0.44) MEN1HTTKMT2AALDH1A1HPGD
SCHEMBL22215851 0.76 KDM4E (0.46) MEN1HTTKMT2AALDH1A1HPGD
SCHEMBL21637504 0.75 CYP1A2 (0.53) MEN1HTTKMT2AALDH1A1HPGD
SCHEMBL5086988 0.75 MAPT (0.47) MEN1KMT2AALDH1A1HPGDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8957069-B2 Benzofuran derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-02-17 US disclosed
EP-2781513-A1 Benzofuran derivatives Takeda Pharmaceutical Company Limited (JP) 2014-09-24 EP disclosed
EP-2406243-B1 BENZOFURAN DERIVATIVES TAKEDA PHARMACEUTICAL (JP) 2014-05-07 EP disclosed
US-8288390-B2 Benzofuran derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-16 US disclosed
US-20120232095-A1 BENZOFURAN DERIVATIVES TSUKAMOTO TETSUYA (JP) 2012-09-13 US disclosed
US-20120232096-A1 BENZOFURAN DERIVATIVES TSUKAMOTO TETSUYA (JP) 2012-09-13 US disclosed
US-20120046277-A1 BENZOFURAN DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-02-23 US disclosed
EP-2406243-A1 BENZOFURAN DERIVATIVES Takeda Pharmaceutical Company Limited (JP) 2012-01-18 EP disclosed
US-20100234357-A1 Benzofuran derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-16 US disclosed
WO-2010104194-A1 BENZOFURAN DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-16 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 (4 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-20120232096-A1 BENZOFURAN DERIVATIVES AHR, BRPF3, CBR3 MEN1 2298/4885HTT 274/4885KMT2A 593/4885
US-20100234357-A1 Benzofuran derivatives AHR, BRPF3, CBR3 MEN1 2298/4885HTT 274/4885KMT2A 593/4885
US-20120232095-A1 BENZOFURAN DERIVATIVES AHR, BRPF3, CBR3 MEN1 2298/4885HTT 274/4885KMT2A 593/4885
US-20120046277-A1 BENZOFURAN DERIVATIVES BRPF3, BRD1, CBR3 MEN1 2740/4885HTT 1410/4885KMT2A 635/4885

“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.