SCHEMBL17032808

SCHEMBL17032808

NCC(O)c1cccc(/C=C/C2(O)CCCCC2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.40
APEX1 P27695 3/20 0.36
TDP1 Q9NUW8 3/20 0.36
RECQL P46063 3/20 0.36
BLM P54132 3/20 0.36
TAAR1 Q96RJ0 3/20 0.36
KDM4E B2RXH2 3/20 0.36
MAPT P10636 2/20 0.36
HPGD P15428 2/20 0.36
LMNA P02545 2/20 0.36
MAPK1 P28482 2/20 0.36
MEN1 O00255 1/20 0.36
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRA2A P08913 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
ADRB3 P13945 1/20 0.36
DRD2 P14416 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36

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
SCHEMBL4170113 0.90 PNMT (0.31) PNMTSLC6A2SLC6A4
SCHEMBL4170106 0.90 PNMT (0.31) PNMTSLC6A2SLC6A4
SCHEMBL21941767 0.90 PNMT (0.31) PNMTSLC6A2SLC6A4
SCHEMBL2150890 0.88
SCHEMBL3138635 0.88
SCHEMBL13323690 0.88
SCHEMBL613440 0.87 SLC6A2 (0.34) CYP3A4SLC6A2SLC6A4
SCHEMBL4175549 0.87 SLC6A2 (0.34) CYP3A4SLC6A2SLC6A4
SCHEMBL4175543 0.87 SLC6A2 (0.34) CYP3A4SLC6A2SLC6A4
SCHEMBL4177040 0.87 SLC6A2 (0.34) CYP3A4SLC6A2SLC6A4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10201545-B2 Styrenyl derivative compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2019-02-12 US disclosed
US-20150238497-A1 STYRENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. 2015-08-27 US disclosed
US-20150238497-A1 STYRENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. 2015-08-27 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 (2 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-20150238497-A1 STYRENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ALDH1A2, STARD3, TXNRD2 PNMT 3293/4885APEX1 692/4885TDP1 272/4885
US-10201545-B2 Styrenyl derivative compounds for treating ophthalmic diseases and disorders ALDH1A2, STARD3, TXNRD2 PNMT 3293/4885APEX1 692/4885TDP1 272/4885

“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.