SCHEMBL660416

SCHEMBL660416

C=C(C)COc1cc(C)ccc1C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.57
LMNA P02545 1/20 0.57
SMN1; SMN2 Q16637 3/20 0.54
TDP1 Q9NUW8 3/20 0.53
GAA P10253 1/20 0.53
TSHR P16473 3/20 0.51
USP2 O75604 2/20 0.49
MAPT P10636 1/20 0.49
ALOX15 P16050 1/20 0.49
HSD17B10 Q99714 1/20 0.49
SAE1 Q9UBE0 1/20 0.49
UBA2 Q9UBT2 1/20 0.49
CYP2C9 P11712 2/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
POLB P06746 2/20 0.48
ALDH1A1 P00352 1/20 0.48
ATM Q13315 1/20 0.46
TTR P02766 1/20 0.45
CYP1A2 P05177 1/20 0.45

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
SCHEMBL8161005 0.85 SMN1; SMN2 (0.51) HTTLMNASMN1; SMN2TDP1GAA
SCHEMBL8378106 0.84 TRPM8 (0.46) HTTLMNASMN1; SMN2TDP1GAA
SCHEMBL1339613 0.82 ALDH1A1 (0.42) HTTLMNASMN1; SMN2TDP1GAA
SCHEMBL19498479 0.82 PTGDR2 (0.51) HTTLMNASMN1; SMN2TDP1GAA
SCHEMBL7889971 0.81 HTT (0.66) HTTLMNASMN1; SMN2TDP1GAA
SCHEMBL14200356 0.80 ACHE (0.63) HTTLMNASMN1; SMN2ALDH1A1
SCHEMBL9121401 0.79 HTT (0.54) HTTLMNASMN1; SMN2TDP1GAA
SCHEMBL9121406 0.79 HTT (0.54) HTTLMNASMN1; SMN2TDP1GAA
SCHEMBL5752867 0.79 SMN1; SMN2 (0.54) HTTLMNASMN1; SMN2TDP1GAA
SCHEMBL656549 0.79 LMNA (0.36) HTTLMNASMN1; SMN2TDP1GAA

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 13 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
US-8778874-B2 Glycopeptide antibiotic monomer derivatives NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2014-07-15 US 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
US-5631208-A Herbicidal cyclohexane-1,3-dione derivatives and their preparation process KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1997-05-20 US disclosed
WO-1994003443-A1 HERBICIDAL CYCLOHEXANE-1,3-DIONE DERIVATIVES AND THEIR PREPARATION PROCESS KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1994-02-17 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 HTT 274/4885LMNA 3793/4885SMN1; SMN2 2846/4885
US-20100234357-A1 Benzofuran derivatives AHR, BRPF3, CBR3 HTT 274/4885LMNA 3793/4885SMN1; SMN2 2846/4885
US-20120232095-A1 BENZOFURAN DERIVATIVES AHR, BRPF3, CBR3 HTT 274/4885LMNA 3793/4885SMN1; SMN2 2846/4885
US-20120046277-A1 BENZOFURAN DERIVATIVES BRPF3, BRD1, CBR3 HTT 1410/4885LMNA 3390/4885SMN1; SMN2 2862/4885

“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.