SCHEMBL17795994

SCHEMBL17795994

CC(C)(C)/C(=C\C=O)c1ccc2ccccc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.46
KDM4E B2RXH2 2/20 0.46
HPGD P15428 2/20 0.46
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 1/20 0.46
EGFR P00533 1/20 0.46
TP53 P04637 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAPT P10636 1/20 0.46
PKM P14618 1/20 0.46
ALOX15 P16050 1/20 0.46
ALOX12 P18054 1/20 0.46
JAK1 P23458 1/20 0.46
MAPK1 P28482 1/20 0.46
KMT2A Q03164 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
PTPN1 P18031 1/20 0.42

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
SCHEMBL17784577 0.85 CES2 (0.39) CES2CES1SMN1; SMN2KDM4EHPGD
SCHEMBL17784579 0.85 CES2 (0.39) CES2CES1SMN1; SMN2KDM4EHPGD
SCHEMBL17795992 0.85 CES2 (0.39) CES2CES1SMN1; SMN2KDM4EHPGD
SCHEMBL5448715 0.79 CES2 (0.52) CES2CES1SMN1; SMN2KDM4EHPGD
SCHEMBL9610760 0.79 CES2 (0.52) CES2CES1SMN1; SMN2KDM4EHPGD
SCHEMBL5448716 0.79 CES2 (0.52) CES2CES1SMN1; SMN2KDM4EHPGD
SCHEMBL27919056 0.77 ALDH1A1 (0.41) CES2CES1ALDH1A1MEN1CYP3A4
SCHEMBL28605331 0.75 CES2 (0.52) CES2CES1SMN1; SMN2KDM4EHPGD
SCHEMBL17795993 0.75 PDE4A (0.43) CES2CES1SMN1; SMN2KDM4EHPGD
SCHEMBL855617 0.74 CES2 (0.61) CES2CES1SMN1; SMN2KDM4EHPGD

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-11013700-B2 Compounds and methods of treating ocular disorders CASE WESTERN RESERVE UNIVERSITY (US) 2021-05-25 US disclosed
US-20200129453-A1 COMPOUNDS AND METHODS OF TREATING OCULAR DISORDERS UNIV CASE WESTERN RESERVE (US) 2020-04-30 US disclosed
US-10363231-B2 Compounds and methods of treating ocular disorders CASE WESTERN RESERVE UNIVERSITY (US) 2019-07-30 US disclosed
US-20170340581-A1 COMPOUNDS AND METHODS OF TREATING OCULAR DISORDERS UNIV CASE WESTERN RESERVE (US) 2017-11-30 US disclosed
US-20170340581-A1 COMPOUNDS AND METHODS OF TREATING OCULAR DISORDERS UNIV CASE WESTERN RESERVE (US) 2017-11-30 US disclosed
WO-2016085939-A2 COMPOUNDS AND METHODS OF TREATING OCULAR DISORDERS CASE WESTERN RESERVE UNIVERSITY (US) 2016-06-02 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 (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-20200129453-A1 COMPOUNDS AND METHODS OF TREATING OCULAR DISORDERS ALDH1A2, ADH1B, ADCYAP1R1 CES2 1178/4885CES1 728/4885SMN1; SMN2 1071/4885
US-20170340581-A1 COMPOUNDS AND METHODS OF TREATING OCULAR DISORDERS ALDH1A2, ADH1B, ADCYAP1R1 CES2 1144/4885CES1 716/4885SMN1; SMN2 1129/4885
US-10363231-B2 Compounds and methods of treating ocular disorders ALDH1A2, ADH1B, ADCYAP1R1 CES2 1144/4885CES1 716/4885SMN1; SMN2 1129/4885
US-11013700-B2 Compounds and methods of treating ocular disorders ALDH1A2, ADH1B, ADCYAP1R1 CES2 1178/4885CES1 728/4885SMN1; SMN2 1071/4885

“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.