SCHEMBL17795809

SCHEMBL17795809

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.37
HPGD P15428 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
GRIN1 Q05586 1/20 0.36
GRIN2B Q13224 1/20 0.36
F2 P00734 1/20 0.36
PLG P00747 1/20 0.36
PLAU P00749 1/20 0.36
KLKB1 P03952 1/20 0.36
KLK1 P06870 1/20 0.36
PRSS1 P07477 1/20 0.36
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
EGFR P00533 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 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
SCHEMBL17784579 0.82 CES2 (0.39) KDM4EHPGDSMN1; SMN2CES2CES1
SCHEMBL17784577 0.82 CES2 (0.39) KDM4EHPGDSMN1; SMN2CES2CES1
SCHEMBL17795992 0.82 CES2 (0.39) KDM4EHPGDSMN1; SMN2CES2CES1
SCHEMBL17795991 0.80 PDE4A (0.35) KDM4EHPGDSMN1; SMN2F2PLG
SCHEMBL21958673 0.78 ALDH1A1 (0.33) HPGDALDH1A1MAPTTDP1
SCHEMBL17795994 0.71 CES2 (0.48) KDM4EHPGDSMN1; SMN2F2PLG
SCHEMBL17795784 0.68 NPC1 (0.40) SMN1; SMN2GRIN1GRIN2BMEN1ALDH1A1
SCHEMBL6955143 0.65 KDM4E (0.49) KDM4EHPGDSMN1; SMN2F2PLG
SCHEMBL6955133 0.65 KDM4E (0.49) KDM4EHPGDSMN1; SMN2F2PLG
SCHEMBL6955138 0.65 KDM4E (0.49) KDM4EHPGDSMN1; SMN2F2PLG

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 KDM4E 4556/4885HPGD 506/4885SMN1; SMN2 1071/4885
US-20170340581-A1 COMPOUNDS AND METHODS OF TREATING OCULAR DISORDERS ALDH1A2, ADH1B, ADCYAP1R1 KDM4E 4577/4885HPGD 560/4885SMN1; SMN2 1129/4885
US-10363231-B2 Compounds and methods of treating ocular disorders ALDH1A2, ADH1B, ADCYAP1R1 KDM4E 4577/4885HPGD 560/4885SMN1; SMN2 1129/4885
US-11013700-B2 Compounds and methods of treating ocular disorders ALDH1A2, ADH1B, ADCYAP1R1 KDM4E 4556/4885HPGD 506/4885SMN1; 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.