SCHEMBL562856

SCHEMBL562856

Cc1cc(OC2CCCCO2)cc(C)c1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.36
DHFR P00374 1/20 0.32
TNK2 Q07912 1/20 0.31
KDM4C Q9H3R0 1/20 0.30

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
SCHEMBL29600723 0.86 HSD11B1 (0.37) HSD11B1DHFRTNK2
SCHEMBL14184913 0.84 HSD11B1 (0.37) HSD11B1DHFRTNK2KDM4C
SCHEMBL12642069 0.83 HSD11B1 (0.34) HSD11B1DHFR
SCHEMBL2028590 0.81 HSD11B1 (0.32) HSD11B1
SCHEMBL16426108 0.79 HSD11B1 (0.36) HSD11B1DHFR
SCHEMBL18530941 0.79 LPL (0.35) HSD11B1DHFR
SCHEMBL8265696 0.78 CA1 (0.43) HSD11B1TNK2
SCHEMBL23907104 0.77 DHFR (0.37) HSD11B1DHFRTNK2KDM4C
SCHEMBL1118822 0.77 HSD11B1 (0.43) HSD11B1DHFRTNK2KDM4C
SCHEMBL16583636 0.77 PDE10A (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2423176-A1 CARBOXYLIC ACID COMPOUND Astellas Pharma Inc. (JP) 2012-02-29 EP disclosed
US-20120035196-A1 CARBOXYLIC ACID COMPOUND ASTELLAS PHARMA INC. (JP) 2012-02-09 US disclosed
US-20120035196-A1 CARBOXYLIC ACID COMPOUND ASTELLAS PHARMA INC. (JP) 2012-02-09 US disclosed
US-20120035196-A1 CARBOXYLIC ACID COMPOUND ASTELLAS PHARMA INC. (JP) 2012-02-09 US disclosed
WO-2010123016-A1 CARBOXYLIC ACID COMPOUND アステラス製薬株式会社 (JP) 2010-10-28 WO disclosed
WO-2010123017-A1 TETRAZOLE COMPOUND アステラス製薬株式会社 (JP) 2010-10-28 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-20120035196-A1 CARBOXYLIC ACID COMPOUND GPR119, GPR65, GPR55 HSD11B1 672/4885DHFR 2932/4885TNK2 4240/4885

“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.