SCHEMBL562029

SCHEMBL562029

O=C1OCCC12Oc1cc(F)ccc1C2=O

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 3/20 0.38
AKR1B10 O60218 1/20 0.38
MAPT P10636 1/20 0.38
AKR1A1 P14550 1/20 0.38
FABP6 P51161 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
MAOB P27338 8/20 0.35
MALT1 Q9UDY8 1/20 0.35
KMT2A Q03164 1/20 0.33

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
SCHEMBL11151373 0.78 ALDH1A1 (0.40) MAPT
SCHEMBL11241147 0.77 HTR2A (0.37)
SCHEMBL11382613 0.76 POLB (0.32)
SCHEMBL11157585 0.75 MAPT (0.50) MAPTKMT2A
SCHEMBL562565 0.74 CA1 (0.42) FABP6CA1CA2CA7CA9
SCHEMBL11386487 0.70 ALDH1A1 (0.39) CA1CA2CA7CA9
SCHEMBL11155740 0.70 CA1 (0.41) MAPTCA1CA2CA7CA9
SCHEMBL25526149 0.69 MAOB (0.41) AKR1B1AKR1B10MAPTAKR1A1FABP6
SCHEMBL28507667 0.69 HTR2C (0.47) MAPTFABP6CA1CA2CA7
SCHEMBL29920575 0.66 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 4 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

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 AKR1B1 811/4885AKR1B10 297/4885MAPT 4290/4885

“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.