SCHEMBL21245490

SCHEMBL21245490

COc1ccc(C(C)CCC(CN)C(=O)O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM8 O00222 1/20 0.44
GRM6 O15303 1/20 0.44
GRM4 Q14833 1/20 0.44
LDHA P00338 1/20 0.44
ALOX5 P09917 1/20 0.43
AKR1C3 P42330 6/20 0.43
AKR1C2 P52895 6/20 0.43
PTGS2 P35354 3/20 0.43
PTGS1 P23219 3/20 0.43
CDC42 P60953 1/20 0.43
RAC1 P63000 1/20 0.43
CYP1A2 P05177 1/20 0.43
TSHR P16473 1/20 0.43
SLC22A6 Q4U2R8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
GRIK1 P39086 1/20 0.41
GRIK2 Q13002 1/20 0.41
ALDH1A1 P00352 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL4983941 0.87 LDHA (0.45) GRM8GRM6GRM4LDHAALOX5
SCHEMBL4989765 0.83 TAAR1 (0.55) ALOX5
SCHEMBL1236957 0.80 LDHA (0.47) GRM8GRM6GRM4LDHAALOX5
SCHEMBL6056332 0.79 MAPK1 (0.44) LDHACYP1A2GRIK1GRIK2ALDH1A1
SCHEMBL5365696 0.79 LDHA (0.54) LDHAALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL4989886 0.78 GRIK1 (0.43) GRM8GRM6GRM4LDHAALOX5
SCHEMBL4984128 0.78 GRM8 (0.43) GRM8GRM4AKR1C3AKR1C2GRIK1
SCHEMBL27590253 0.76 PDE4B (0.50) LDHAALOX5AKR1C3AKR1C2PTGS2
SCHEMBL1586430 0.76 CYP1A2 (0.46) CYP1A2ALDH1A1
SCHEMBL4615276 0.76 ALDH1A1 (0.54) CYP1A2ALDH1A1

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
US-20250127733-A1 TOXIC ALDEHYDE RELATED DISEASES AND TREATMENT ALDEYRA THERAPEUTICS, INC. 2025-04-24 US disclosed
US-11701331-B2 Toxic aldehyde related diseases and treatment ALDEYRA THERAPEUTICS, INC. (US) 2023-07-18 US disclosed
US-20210275469-A1 TOXIC ALDEHYDE RELATED DISEASES AND TREATMENT ALDEYRA THERAPEUTICS, INC. 2021-09-09 US disclosed
US-11007157-B2 Toxic aldehyde related diseases and treatment ALDEYRA THERAPEUTICS, INC. (US) 2021-05-18 US disclosed
US-10588874-B2 Toxic aldehyde related diseases and treatment ALDEYRA THERAPEUTICS, INC. (US) 2020-03-17 US disclosed
US-20190247334-A1 TOXIC ALDEHYDE RELATED DISEASES AND TREATMENT ALDEXA THERAPEUTICS, INC. 2019-08-15 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 (6 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-20210275469-A1 TOXIC ALDEHYDE RELATED DISEASES AND TREATMENT ALDH1A2, ALDH2, ALDH1A1 GRM8 1425/4885GRM6 1048/4885GRM4 897/4885
US-20190247334-A1 TOXIC ALDEHYDE RELATED DISEASES AND TREATMENT ALDH1A2, ALDH2, ALDH1A1 GRM8 1425/4885GRM6 1048/4885GRM4 897/4885
US-11007157-B2 Toxic aldehyde related diseases and treatment ALDH1A2, ALDH2, ALDH1A1 GRM8 1425/4885GRM6 1048/4885GRM4 897/4885
US-10588874-B2 Toxic aldehyde related diseases and treatment ALDH1A2, ALDH2, ALDH1A1 GRM8 1425/4885GRM6 1048/4885GRM4 897/4885
US-20250127733-A1 TOXIC ALDEHYDE RELATED DISEASES AND TREATMENT ALDH1A2, ALDH2, ALDH1A1 GRM8 1425/4885GRM6 1048/4885GRM4 897/4885
US-11701331-B2 Toxic aldehyde related diseases and treatment ALDH1A2, ALDH2, ALDH1A1 GRM8 1425/4885GRM6 1048/4885GRM4 897/4885

“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.