SCHEMBL17795993

SCHEMBL17795993

CC(C)(C)/C(=C\C#N)c1ccc2ccccc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 5/20 0.43
PDE4B Q07343 5/20 0.43
PDE4C Q08493 5/20 0.43
PDE4D Q08499 5/20 0.43
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 2/20 0.41
HPGD P15428 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 1/20 0.41
EGFR P00533 1/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPT P10636 1/20 0.41
PKM P14618 1/20 0.41
ALOX15 P16050 1/20 0.41
ALOX12 P18054 1/20 0.41
JAK1 P23458 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
SCHEMBL17795991 0.82 PDE4A (0.35) PDE4APDE4BPDE4CPDE4DCES2
SCHEMBL10399120 0.79 CES2 (0.46) PDE4APDE4BPDE4CPDE4DCES2
SCHEMBL10399101 0.79 CES2 (0.46) PDE4APDE4BPDE4CPDE4DCES2
SCHEMBL24704151 0.79 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DCES2
SCHEMBL11852913 0.76 PLAU (0.56) PDE4APDE4BPDE4CPDE4DCES2
SCHEMBL28519063 0.76 CES2 (0.46) PDE4APDE4BPDE4CPDE4DCES2
SCHEMBL11852908 0.76 PLAU (0.56) PDE4APDE4BPDE4CPDE4DCES2
SCHEMBL29483453 0.76 CES2 (0.46) PDE4APDE4BPDE4CPDE4DCES2
SCHEMBL29041273 0.76 CES2 (0.46) PDE4APDE4BPDE4CPDE4DCES2
SCHEMBL9193223 0.75 CES2 (0.42) PDE4APDE4BPDE4CPDE4DCES2

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 PDE4A 287/4885PDE4B 336/4885PDE4C 543/4885
US-20170340581-A1 COMPOUNDS AND METHODS OF TREATING OCULAR DISORDERS ALDH1A2, ADH1B, ADCYAP1R1 PDE4A 253/4885PDE4B 297/4885PDE4C 477/4885
US-10363231-B2 Compounds and methods of treating ocular disorders ALDH1A2, ADH1B, ADCYAP1R1 PDE4A 253/4885PDE4B 297/4885PDE4C 477/4885
US-11013700-B2 Compounds and methods of treating ocular disorders ALDH1A2, ADH1B, ADCYAP1R1 PDE4A 287/4885PDE4B 336/4885PDE4C 543/4885

“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.