SCHEMBL657575

SCHEMBL657575

Cc1ccc2c(c1C)OC(C)(C)C2

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.46
KDM4E B2RXH2 2/20 0.46
HPGD P15428 1/20 0.46
LMNA P02545 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
POLB P06746 2/20 0.38
PKM P14618 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HTT P42858 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
DHFR P00374 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPT P10636 1/20 0.33
HTR1A P08908 1/20 0.32

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
SCHEMBL8123158 0.81 DHFR (0.37) ALDH1A1KDM4EHPGDLMNASMN1; SMN2
SCHEMBL9333780 0.81 HPGD (0.40) ALDH1A1KDM4EHPGDLMNASMN1; SMN2
SCHEMBL435089 0.76 LMNA (0.49) ALDH1A1KDM4ELMNASMN1; SMN2POLB
SCHEMBL8387330 0.74 ALDH1A1 (0.42) ALDH1A1LMNASMN1; SMN2PKMCYP3A4
SCHEMBL9571413 0.73 POLB (0.35) ALDH1A1KDM4ELMNASMN1; SMN2POLB
SCHEMBL8117428 0.73 LMNA (0.35) ALDH1A1KDM4EHPGDLMNASMN1; SMN2
SCHEMBL660362 0.71 ALDH1A1 (0.51) ALDH1A1KDM4EHPGDLMNASMN1; SMN2
SCHEMBL18536181 0.71 ALDH1A1 (0.49) ALDH1A1KDM4ELMNAPOLBPKM
SCHEMBL5262234 0.69 KDM4E (0.37) ALDH1A1KDM4EHPGDCYP1A2
SCHEMBL14283919 0.69 AKT1 (0.46) ALDH1A1KDM4ELMNADHFRMAPT

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
WO-2010104194-A1 BENZOFURAN DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-16 WO disclosed
US-20100234357-A1 Benzofuran derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-16 US 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 ALDH1A1 618/4885KDM4E 1953/4885HPGD 1781/4885
US-20100234357-A1 Benzofuran derivatives AHR, BRPF3, CBR3 ALDH1A1 618/4885KDM4E 1953/4885HPGD 1781/4885
US-20120232095-A1 BENZOFURAN DERIVATIVES AHR, BRPF3, CBR3 ALDH1A1 618/4885KDM4E 1953/4885HPGD 1781/4885
US-20120046277-A1 BENZOFURAN DERIVATIVES BRPF3, BRD1, CBR3 ALDH1A1 1010/4885KDM4E 1734/4885HPGD 2907/4885

“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.