SCHEMBL660552

SCHEMBL660552

Cc1ccc(-c2ccc3c(c2)OC(C)(C)C3)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIT P10721 2/20 0.41
PIM1 P11309 1/20 0.40
PIM3 Q86V86 1/20 0.40
PIM2 Q9P1W9 1/20 0.40
MAOB P27338 1/20 0.37
CA12 O43570 1/20 0.36
CA9 Q16790 1/20 0.36
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
PGR P06401 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.34
MAPT P10636 3/20 0.34
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 3/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
OGA O60502 1/20 0.33
MET P08581 1/20 0.33
IDO1 P14902 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
SCHEMBL12180466 0.85 KDM4E (0.38) KITPIM1PIM3PIM2MAOB
SCHEMBL657660 0.76 IRAK4 (0.38) KITPIM1PIM3PIM2MAOB
SCHEMBL660359 0.75 CYP11B1 (0.52) ALDH1A1BACE1CTSD
SCHEMBL12035985 0.74 MAPT (0.41) MAOBIRAK4MAPTKDM4EALDH1A1
SCHEMBL9220704 0.73 AKR1B1 (0.42) PIM1PIM3PIM2MAOBMAPT
SCHEMBL19029897 0.73 MAOB (0.39) PIM1PIM3PIM2MAOBCNR1
SCHEMBL30781068 0.73 MAPT (0.41) PIM1PIM3PIM2CA12CA9
SCHEMBL659413 0.73 MAOB (0.39) PIM1PIM3PIM2MAOBMAPT
SCHEMBL282032 0.73 ALDH1A1 (0.60) CNR2MAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL18053881 0.73 MAPT (0.41) PIM1PIM3PIM2CA12CA9

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 KIT 4041/4885PIM1 3874/4885PIM3 3554/4885
US-20100234357-A1 Benzofuran derivatives AHR, BRPF3, CBR3 KIT 4041/4885PIM1 3874/4885PIM3 3554/4885
US-20120232095-A1 BENZOFURAN DERIVATIVES AHR, BRPF3, CBR3 KIT 4041/4885PIM1 3874/4885PIM3 3554/4885
US-20120046277-A1 BENZOFURAN DERIVATIVES BRPF3, BRD1, CBR3 KIT 3492/4885PIM1 3613/4885PIM3 2909/4885

“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.