SCHEMBL1390704

SCHEMBL1390704

CCOc1ccc(COc2ccc(C=O)c(O)c2C)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 4/20 0.47
MAPT P10636 5/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
TACR2 P21452 1/20 0.42
ALDH1A1 P00352 3/20 0.42
LMNA P02545 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
GPR84 Q9NQS5 1/20 0.40
MAOB P27338 1/20 0.40
LTA4H P09960 1/20 0.40
HPGD P15428 1/20 0.39
GAA P10253 1/20 0.38
TUBB1 Q9H4B7 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALOX15 P16050 1/20 0.38

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
SCHEMBL7924586 0.88 MAPT (0.52) ERN1MAPTSMN1; SMN2L3MBTL1CYP2C9
SCHEMBL768225 0.83 MAPT (0.66) ERN1MAPTSMN1; SMN2L3MBTL1CYP2C9
SCHEMBL5450201 0.76 ERN1 (0.46) ERN1MAPTSMN1; SMN2L3MBTL1CYP2C9
SCHEMBL31166901 0.74 ERN1 (0.47) ERN1MAPTSMN1; SMN2L3MBTL1TDP1
SCHEMBL10088414 0.73 ERN1 (0.44) ERN1MAPTSMN1; SMN2L3MBTL1CYP2C9
SCHEMBL24379319 0.72 MAPT (0.55) ERN1MAPTSMN1; SMN2L3MBTL1CYP2C9
SCHEMBL5042464 0.72 ALDH1A1 (0.49) ERN1L3MBTL1ALDH1A1LMNAHPGD
SCHEMBL4032216 0.71 TUBB1 (0.52) ERN1MAPTSMN1; SMN2L3MBTL1TACR2
SCHEMBL12836922 0.71 ERN1 (0.42) ERN1MAPTSMN1; SMN2TDP1TACR2
SCHEMBL29708063 0.70 TYR (0.66) ERN1MAPTSMN1; SMN2ALDH1A1LMNA

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8501804-B2 Bicyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-08-06 US disclosed
US-8501804-B2 Bicyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-08-06 US disclosed
US-8501804-B2 Bicyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-08-06 US disclosed
US-20120010247-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-01-12 US disclosed
US-20120010247-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-01-12 US disclosed
US-20120010247-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-01-12 US disclosed
EP-2351743-A1 BICYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-08-03 EP disclosed
EP-2351743-A1 BICYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-08-03 EP 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 (1 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-20120010247-A1 BICYCLIC COMPOUND ACACA, CPT1B, ACACB ERN1 3393/4885MAPT 3578/4885SMN1; SMN2 787/4885

“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.