SCHEMBL562565

SCHEMBL562565

O=C1c2ccc(F)cc2OC12CC2

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
JAK2 O60674 1/20 0.41
MAOB P27338 9/20 0.40
MALT1 Q9UDY8 1/20 0.39
HTR2C P28335 1/20 0.36
NR3C2 P08235 1/20 0.35
FABP6 P51161 1/20 0.35

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
SCHEMBL28507667 0.89 HTR2C (0.47) CA1CA2CA7CA9JAK2
SCHEMBL11253930 0.79 MAPT (0.42) JAK2
SCHEMBL21383714 0.76 HDAC2 (0.42)
SCHEMBL28509648 0.76 HDAC3 (0.55) CA1CA2CA7CA9MALT1
SCHEMBL11254040 0.75 PPIB (0.56) CA1CA2CA7CA9MAOB
SCHEMBL562029 0.74 AKR1B1 (0.38) CA1CA2CA7CA9MAOB
SCHEMBL11154239 0.73 ALDH1A1 (0.46) CA1CA2CA7CA9
SCHEMBL15323907 0.72 KMT2A (0.46) CA1CA2CA7CA9HTR2C
SCHEMBL29920633 0.72 HSD11B1 (0.48) MAOB
SCHEMBL25526149 0.72 MAOB (0.41) CA1CA2CA7CA9MAOB

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
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

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 CA1 627/4885CA2 142/4885CA7 329/4885

“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.