SCHEMBL660004

SCHEMBL660004

C=C(C)COc1cc(C)c(Br)c(C)c1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.48
ALDH1A1 P00352 7/20 0.40
LMNA P02545 6/20 0.40
KDM4E B2RXH2 4/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
TSHR P16473 3/20 0.40
HSD17B10 Q99714 3/20 0.40
NPSR1 Q6W5P4 3/20 0.40
POLB P06746 2/20 0.40
HPGD P15428 4/20 0.39
MAPT P10636 4/20 0.39
HTT P42858 3/20 0.34
ATM Q13315 1/20 0.34
HTR2B P41595 2/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 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
SCHEMBL5699407 0.79 TP53 (0.54) TP53KDM4ESMN1; SMN2TSHRHSD17B10
SCHEMBL656549 0.79 LMNA (0.36) ALDH1A1LMNAKDM4ESMN1; SMN2TSHR
SCHEMBL28027411 0.77 ALDH1A1 (0.54) TP53ALDH1A1LMNASMN1; SMN2TSHR
SCHEMBL21757387 0.76 TP53 (0.43) TP53ALDH1A1LMNAKDM4ESMN1; SMN2
SCHEMBL4815160 0.75 TP53 (0.44) TP53ALDH1A1LMNAKDM4ESMN1; SMN2
SCHEMBL658570 0.75 NPSR1 (0.49) ALDH1A1LMNAKDM4ESMN1; SMN2NPSR1
SCHEMBL10872343 0.75 KDM4E (0.39) ALDH1A1LMNAKDM4ESMN1; SMN2TSHR
SCHEMBL8712853 0.73 HSD17B10 (0.49) TP53ALDH1A1LMNAKDM4ESMN1; SMN2
SCHEMBL3622755 0.72 TP53 (0.42) TP53ALDH1A1LMNAKDM4ESMN1; SMN2
SCHEMBL8712749 0.72 NPSR1 (0.39) TP53ALDH1A1LMNAKDM4ESMN1; SMN2

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
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 TP53 4442/4885ALDH1A1 618/4885LMNA 3793/4885
US-20100234357-A1 Benzofuran derivatives AHR, BRPF3, CBR3 TP53 4442/4885ALDH1A1 618/4885LMNA 3793/4885
US-20120232095-A1 BENZOFURAN DERIVATIVES AHR, BRPF3, CBR3 TP53 4442/4885ALDH1A1 618/4885LMNA 3793/4885
US-20120046277-A1 BENZOFURAN DERIVATIVES BRPF3, BRD1, CBR3 TP53 4344/4885ALDH1A1 1010/4885LMNA 3390/4885

“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.