SCHEMBL6452470

SCHEMBL6452470

CC(CCC(CN)C(=O)O)Oc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.49
MTNR1B P49286 1/20 0.49
CYP1A2 P05177 2/20 0.41
GAA P10253 1/20 0.41
CYP2C9 P11712 1/20 0.41
PKM P14618 1/20 0.41
CYP2C19 P33261 1/20 0.41
PPARG P37231 5/20 0.38
PPARA Q07869 5/20 0.38
MAPT P10636 1/20 0.38
GPR88 Q9GZN0 1/20 0.38
POLB P06746 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
ALOX5 P09917 1/20 0.37

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
SCHEMBL21245507 0.82 HTR2A (0.44) GAAMAPTNPC1RAB9A
SCHEMBL21245518 0.81 ALDH1A1 (0.41) PPARAMAPTPOLB
SCHEMBL6056303 0.78 PPARG (0.44) MTNR1AMTNR1BGAAPKMPPARG
SCHEMBL6458546 0.77 ALDH1A1 (0.43) CYP1A2GAAMAPTPOLBNPC1
SCHEMBL7582723 0.76 MTNR1A (0.47) MTNR1AMTNR1B
SCHEMBL11129303 0.76 MTNR1A (0.53) MTNR1AMTNR1BCYP1A2GAACYP2C9
SCHEMBL4989765 0.76 TAAR1 (0.55) ALOX5
SCHEMBL353033 0.76 MTNR1A (0.53) MTNR1AMTNR1BCYP1A2GAACYP2C9
SCHEMBL9487296 0.76 MAPK1 (0.58) PKMPPARGPPARAMAPTRAB9A
SCHEMBL3160069 0.75 MTNR1A (0.50) MTNR1AMTNR1BPOLB

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 8 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
EP-1572188-A1 PREGABALIN DERIVATIVES FOR THE TREATMENT OF FIBROMYALGIA AND OTHER DISORDERS Warner-Lambert Company LLC (US) 2005-09-14 EP disclosed
WO-2004054566-A1 PREGABALIN DERIVATIVES FOR THE TREATMENT OF FIBROMYALGIA AND OTHER DISORDERS WARNER-LAMBERT COMPANY LLC (US) 2004-07-01 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 (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 MTNR1A 108/4885MTNR1B 107/4885CYP1A2 1154/4885
US-20190247334-A1 TOXIC ALDEHYDE RELATED DISEASES AND TREATMENT ALDH1A2, ALDH2, ALDH1A1 MTNR1A 108/4885MTNR1B 107/4885CYP1A2 1154/4885
US-11007157-B2 Toxic aldehyde related diseases and treatment ALDH1A2, ALDH2, ALDH1A1 MTNR1A 108/4885MTNR1B 107/4885CYP1A2 1154/4885
US-10588874-B2 Toxic aldehyde related diseases and treatment ALDH1A2, ALDH2, ALDH1A1 MTNR1A 108/4885MTNR1B 107/4885CYP1A2 1154/4885
US-20250127733-A1 TOXIC ALDEHYDE RELATED DISEASES AND TREATMENT ALDH1A2, ALDH2, ALDH1A1 MTNR1A 108/4885MTNR1B 107/4885CYP1A2 1154/4885
US-11701331-B2 Toxic aldehyde related diseases and treatment ALDH1A2, ALDH2, ALDH1A1 MTNR1A 108/4885MTNR1B 107/4885CYP1A2 1154/4885

“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.