SCHEMBL658369

SCHEMBL658369

Cc1cc(C)c2c(c1O)OC(C)(C)C2=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 2/20 0.36
MAPT P10636 2/20 0.36
KMT2A Q03164 2/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 2/20 0.34
HPGD P15428 1/20 0.34
RECQL P46063 1/20 0.34
MAOA P21397 1/20 0.34
CYP19A1 P11511 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
APAF1 O14727 1/20 0.32
ALPL P05186 1/20 0.32
ALPI P09923 1/20 0.32
ALPG P10696 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
ESR1 P03372 1/20 0.30
ESR2 Q92731 1/20 0.30

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
SCHEMBL659098 0.81 KDM4E (0.31) KDM4EALDH1A1HPGD
SCHEMBL657722 0.79
SCHEMBL660622 0.76 AKR1B1 (0.34) ALDH1A1
SCHEMBL18270608 0.75 ESR1 (0.40) KDM4EMEN1MAPTKMT2AUSP2
SCHEMBL3600806 0.73 NQO1 (0.33) KDM4EALDH1A1HPGDCA1CA2
SCHEMBL933085 0.70 PTGS1 (0.38) ESR1ESR2
SCHEMBL659449 0.70 PTPN1 (0.31)
SCHEMBL659859 0.67 TSHR (0.45) MEN1MAPTKMT2AALDH1A1
SCHEMBL3595922 0.67 CYP3A4 (0.30)
SCHEMBL3593733 0.65 GPR35 (0.31) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103965147-B Benzofuran derivatives 武田药品工业株式会社 2016-08-24 CN disclosed
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 KDM4E 1953/4885MEN1 2298/4885MAPT 3969/4885
US-20100234357-A1 Benzofuran derivatives AHR, BRPF3, CBR3 KDM4E 1953/4885MEN1 2298/4885MAPT 3969/4885
US-20120232095-A1 BENZOFURAN DERIVATIVES AHR, BRPF3, CBR3 KDM4E 1953/4885MEN1 2298/4885MAPT 3969/4885
US-20120046277-A1 BENZOFURAN DERIVATIVES BRPF3, BRD1, CBR3 KDM4E 1734/4885MEN1 2740/4885MAPT 4353/4885

“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.