SCHEMBL1390751

SCHEMBL1390751

CC1(C)COc2ccc(CCc3ccc(C=O)c(O)c3)cc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 3/20 0.40
RARG P13631 3/20 0.40
RARA P10276 2/20 0.40
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
RXRA P19793 1/20 0.38
CDK1 P06493 1/20 0.38
NOTUM Q6P988 2/20 0.37
TYR P14679 2/20 0.35
BACE1 P56817 2/20 0.35
TRIM24 O15164 1/20 0.35
TRIM33 Q9UPN9 1/20 0.35
PIK3CD O00329 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CB P42338 1/20 0.34
PIK3CG P48736 1/20 0.34
PRKDC P78527 1/20 0.34
CYP26A1 O43174 1/20 0.32
CYP26B1 Q9NR63 1/20 0.32
ERN1 O75460 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
SCHEMBL7916912 0.80 RARB (0.39) RARBRARGRARAPTGS1PTGS2
SCHEMBL1390899 0.79 RARB (0.37) RARBRARGRARAPTGS1PTGS2
SCHEMBL5780245 0.79 RARB (0.42) RARBRARGRARAPTGS1PTGS2
SCHEMBL5782492 0.77 RARB (0.45) RARBRARGRARAPTGS1PTGS2
SCHEMBL5780794 0.77 PTGS2 (0.44) RARBRARGRARAPTGS1PTGS2
SCHEMBL7292586 0.77 RARB (0.39) RARBRARGRARAPTGS1PTGS2
SCHEMBL987764 0.76 PTGS1 (0.43) RARBRARGRARAPTGS1PTGS2
SCHEMBL1391069 0.76 CALM1 (0.56) CALM1
SCHEMBL21002110 0.76 CDK1 (0.58) PTGS1CDK1TYRBACE1TRIM24
SCHEMBL5782515 0.74 PTGS1 (0.45) RARBRARGRARAPTGS1PTGS2

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 9 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
WO-2010050445-A1 BICYCLIC COMPOUND 武田薬品工業株式会社 (JP) 2010-05-06 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 (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 RARB 3964/4885RARG 3567/4885RARA 3770/4885

“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.