SCHEMBL5366910

SCHEMBL5366910

CC(C)c1ccc(C=O)s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
DPP4 P27487 1/20 0.37
TYR P14679 2/20 0.37
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
CYP2A6 P11509 3/20 0.35
CYP2E1 P05181 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2B6 P20813 1/20 0.35
CYP2C19 P33261 1/20 0.35
KDM4E B2RXH2 3/20 0.33
MAPT P10636 2/20 0.33
HPGD P15428 2/20 0.33
ALOX5 P09917 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 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
SCHEMBL12932468 0.83 ALDH1A1 (0.43) ALDH1A1DPP4TYRCHRM2CHRM4
SCHEMBL2068845 0.78 CYP2C9 (0.50) ALDH1A1DPP4CYP3A4CYP2C9CYP2C19
SCHEMBL16021717 0.77 ALOX5 (0.30) ALOX5
SCHEMBL9226050 0.77 DAO (0.45) ALDH1A1DPP4CHRM2CHRM4CHRM5
2,5-Thiophenenedicarboxaldehyde SCHEMBL178830 0.74
SCHEMBL2624390 0.74 CCNE1 (0.30) ALOX5
SCHEMBL12394799 0.74 ALOX5 (0.35) ALOX5KMT2A
SCHEMBL5520584 0.72 MAPK1 (0.56) ALDH1A1DPP4TYRCYP3A4KDM4E
SCHEMBL6826430 0.71 CYP2A6 (0.38) ALDH1A1DPP4CYP2A6KDM4EMAPT
SCHEMBL22292429 0.71 ALOX5 (0.33) ALOX5

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-20200390731-A1 MANIPULATION OF THE RETINOIC ACID SIGNALING PATHWAY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2020-12-17 US disclosed
US-20090233930-A9 Novel 2-Amino-Imidazole-4-One Compounds and Their Use in the Manufacture of a Medicament to Be Used in the Treatment of Cognitive Impairment, Alzheimer's Disease, Neurodegeneration and Dementia ASTRAZENECA AB (SE) 2009-09-17 US disclosed
US-7468371-B2 Tricyclic pyrazole kinase inhibitors ABBOTT LABORATORIES INC. (US) 2008-12-23 US disclosed
US-20080293718-A1 Novel 2-Amino-Imidazole-4-One Compounds and Their Use in the Manufacture of a Medicament to Be Used in the Treatment of Cognitive Impairment, Alzheimer's Disease, Neurodegeneration and Dementia ASTRAZENECA AB (SE) 2008-11-27 US disclosed
US-7202265-B2 Indolinone combinatorial libraries and related products and methods for the treatment of disease SUGEN, INC. (US) 2007-04-10 US disclosed
US-20050197382-A1 Indolinone combinatorial libraries and related products and methods for the treatment of disease SUGEN, INC. 2005-09-08 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 (4 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-20200390731-A1 MANIPULATION OF THE RETINOIC ACID SIGNALING PATHWAY RARB, RARA, RARG ALDH1A1 952/4885DPP4 3346/4885TYR 3967/4885
US-20090233930-A9 Novel 2-Amino-Imidazole-4-One Compounds and Their Use in the Manufacture of a Medicament to Be Used in the Treatment of Cognitive Impairment, Alzheimer's Disease, Neurodegeneration and Dementia PSEN2, MAPT, PSEN1 ALDH1A1 1372/4885DPP4 1420/4885TYR 1990/4885
US-20080293718-A1 Novel 2-Amino-Imidazole-4-One Compounds and Their Use in the Manufacture of a Medicament to Be Used in the Treatment of Cognitive Impairment, Alzheimer's Disease, Neurodegeneration and Dementia PSEN2, MAPT, PSEN1 ALDH1A1 1372/4885DPP4 1420/4885TYR 1990/4885
US-20050197382-A1 Indolinone combinatorial libraries and related products and methods for the treatment of disease FRK, PTK2, DSTYK ALDH1A1 2044/4885DPP4 2839/4885TYR 546/4885

“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.