SCHEMBL1391014

SCHEMBL1391014

CCCCOc1ccc(CCc2ccc(C=O)c(OCOC)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.42
ALDH1A1 P00352 3/20 0.42
LMNA P02545 3/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
ERN1 O75460 1/20 0.41
KDM4E B2RXH2 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
PDE4A P27815 1/20 0.40
HIF1A Q16665 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
MAOB P27338 2/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPK1 P28482 1/20 0.38
CASP1 P29466 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
SCHEMBL1390770 0.95 ERN1 (0.46) SMN1; SMN2ALDH1A1LMNAMAPTHPGD
SCHEMBL1391164 0.90 ERN1 (0.44) ALDH1A1LMNAMAPTHPGDERN1
SCHEMBL1446176 0.88 PPARG (0.41) ALDH1A1LMNACYP1A2CYP2D6HIF1A
SCHEMBL15189007 0.87 ALDH1A1 (0.49) ALDH1A1ERN1L3MBTL1MAOB
SCHEMBL465064 0.85 ALDH1A1 (0.40) SMN1; SMN2ALDH1A1LMNAMAPTHPGD
SCHEMBL1390531 0.82 ACACB (0.40) ALDH1A1HPGDPDE4A
SCHEMBL1390717 0.81 GPR84 (0.42) SMN1; SMN2ALDH1A1L3MBTL1MEN1CYP3A4
SCHEMBL1391321 0.80 ERN1 (0.44) SMN1; SMN2ALDH1A1LMNAMAPTHPGD
SCHEMBL1390387 0.79 TRIM24 (0.49) SMN1; SMN2ALDH1A1LMNAMAPTHPGD
SCHEMBL1391050 0.79 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1LMNAMAPTKDM4E

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 SMN1; SMN2 787/4885ALDH1A1 762/4885LMNA 1520/4885

“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.