SCHEMBL22068412

SCHEMBL22068412

Nc1ccccc(CC(=O)O)cccc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.77
TSHR P16473 2/20 0.59
ABCC4 O15439 1/20 0.59
LMNA P02545 1/20 0.59
GAA P10253 1/20 0.59
PTGS1 P23219 1/20 0.59
HTT P42858 1/20 0.59
CES2 O00748 1/20 0.56
CES1 P23141 1/20 0.56
FFAR1 O14842 1/20 0.53
CA2 P00918 1/20 0.52
CAMK2A Q9UQM7 1/20 0.52
CNR2 P34972 1/20 0.51
HIF1A Q16665 1/20 0.50
PAM P19021 2/20 0.48
NAPRT Q6XQN6 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48

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
Phenylacetic Acid SCHEMBL7322793 0.88 AKR1B1 (0.90) AKR1B1TSHRABCC4LMNAGAA
Phenylacetic Acid SCHEMBL27758886 0.88 AKR1B1 (1.00) AKR1B1TSHRABCC4LMNAGAA
Phenylacetic Acid SCHEMBL1459 0.88 AKR1B1 (1.00) AKR1B1TSHRABCC4LMNAGAA
Phenylacetic Acid SCHEMBL9449909 0.88 AKR1B1 (1.00) AKR1B1TSHRABCC4LMNAGAA
Phenylacetic Acid SCHEMBL1330777 0.88 AKR1B1 (1.00) AKR1B1TSHRABCC4LMNAGAA
Phenylacetic Acid SCHEMBL28242469 0.88 AKR1B1 (1.00) AKR1B1TSHRABCC4LMNAGAA
Phenylacetic Acid SCHEMBL13618842 0.88 AKR1B1 (1.00) AKR1B1TSHRABCC4LMNAGAA
Phenylacetic Acid SCHEMBL7556535 0.86 AKR1B1 (0.63) AKR1B1TSHRABCC4LMNAGAA
SCHEMBL39103 0.86 CA2 (0.62) AKR1B1TSHRABCC4LMNAGAA
SCHEMBL1331730 0.86 CA2 (0.62) AKR1B1TSHRABCC4LMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200181086-A1 1-CYANO-PYRROLIDINE COMPOUNDS AS USP30 INHIBITORS MISSION THERAPEUTICS LIMITED (GB) 2020-06-11 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-20200181086-A1 1-CYANO-PYRROLIDINE COMPOUNDS AS USP30 INHIBITORS USP30, USP20, USP10 AKR1B1 1816/4885TSHR 3934/4885ABCC4 2436/4885

“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.