SCHEMBL659978

SCHEMBL659978

Cc1ccc(-c2ccc3c(c2C)OC(C)(C)C3)cc1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.34
MAOB P27338 1/20 0.33
IDO1 P14902 1/20 0.33
FFAR4 Q5NUL3 1/20 0.32
POLB P06746 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CTSA P10619 1/20 0.32
PKM P14618 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
HTR1A P08908 1/20 0.31
CYP26A1 O43174 1/20 0.31
CYP26B1 Q9NR63 1/20 0.31
PGR P06401 1/20 0.31
MAPT P10636 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 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
SCHEMBL28076875 0.84 CD274 (0.42) LMNAFFAR4POLBSMN1; SMN2HTR1A
SCHEMBL657575 0.75 ALDH1A1 (0.46) LMNAPOLBSMN1; SMN2PKMNPSR1
SCHEMBL657523 0.73 HTR2A (0.33) IDO1FFAR4
SCHEMBL660552 0.70 KIT (0.41) MAOBIDO1SMN1; SMN2PGRMAPT
SCHEMBL657660 0.68 IRAK4 (0.38) MAOBIDO1MAPTNPC1RAB9A
SCHEMBL8123158 0.66 DHFR (0.37) LMNAPOLBSMN1; SMN2PKMNPSR1
SCHEMBL435089 0.65 LMNA (0.49) LMNAPOLBSMN1; SMN2PKMNPSR1
SCHEMBL12180466 0.65 KDM4E (0.38) MAOBSMN1; SMN2MAPT
SCHEMBL803264 0.63 ESR1 (0.56) ESR1ESR2PGRMAPT
SCHEMBL9571413 0.62 POLB (0.35) LMNAFFAR4POLBSMN1; SMN2PKM

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-20120232096-A1 BENZOFURAN DERIVATIVES TSUKAMOTO TETSUYA (JP) 2012-09-13 US disclosed
US-20120232095-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 LMNA 3793/4885MAOB 585/4885IDO1 1550/4885
US-20100234357-A1 Benzofuran derivatives AHR, BRPF3, CBR3 LMNA 3793/4885MAOB 585/4885IDO1 1550/4885
US-20120232095-A1 BENZOFURAN DERIVATIVES AHR, BRPF3, CBR3 LMNA 3793/4885MAOB 585/4885IDO1 1550/4885
US-20120046277-A1 BENZOFURAN DERIVATIVES BRPF3, BRD1, CBR3 LMNA 3390/4885MAOB 983/4885IDO1 1150/4885

“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.