SCHEMBL21151934

SCHEMBL21151934

CCCCCC(CCCC)OC(=O)c1ccsc1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
PRKCA P17252 1/20 0.39
PRKCD Q05655 1/20 0.39
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
CYP3A4 P08684 2/20 0.35
CA2 P00918 1/20 0.35
PNLIP P16233 2/20 0.35
TSHR P16473 5/20 0.34
MAPK1 P28482 2/20 0.34
TP53 P04637 1/20 0.34
LMNA P02545 2/20 0.33
CTSK P43235 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
GLA P06280 1/20 0.32
HTT P42858 1/20 0.32
MGLL Q99685 1/20 0.32
ZDHHC7 Q9NXF8 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL1460094 0.81 PRSS1 (0.57) ALDH1A1PRSS1PRSS2PRSS3CYP3A4
SCHEMBL29287102 0.79 PRSS1 (0.59) ALDH1A1PRSS1PRSS2PRSS3CYP3A4
SCHEMBL23040636 0.79 PRSS1 (0.59) ALDH1A1PRSS1PRSS2PRSS3CYP3A4
SCHEMBL678739 0.78 ALDH1A1 (0.62) ALDH1A1PRKCAPRKCDPRSS1PRSS2
SCHEMBL28318971 0.78 ALDH1A1 (0.49) ALDH1A1PRSS1PRSS2PRSS3CYP3A4
SCHEMBL28320083 0.78 ALDH1A1 (0.52) ALDH1A1PRSS1PRSS2PRSS3CYP3A4
SCHEMBL21151713 0.77 PRKCA (0.41) ALDH1A1PRKCAPRKCDPRSS1PRSS2
SCHEMBL9963977 0.77 ALDH1A1 (0.46) ALDH1A1PRSS1PRSS2PRSS3CYP3A4
SCHEMBL339893 0.77 ALDH1A1 (0.65) ALDH1A1PRKCAPRKCDPRSS1PRSS2
SCHEMBL2696844 0.77 ALDH1A1 (0.65) ALDH1A1PRKCAPRKCDPRSS1PRSS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10858334-B2 Method for aerobic oxidative coupling of thiophenes with a ligand-supported palladium catalyst WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2020-12-08 US disclosed
US-20190210993-A1 Method for Aerobic Oxidative Coupling of Thiophenes with a Ligand-Supported Palladium Catalyst NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2019-07-11 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-10858334-B2 Method for aerobic oxidative coupling of thiophenes with a ligand-supported palladium catalyst PPOX, TST, COX6C ALDH1A1 613/4885PRKCA 3769/4885PRKCD 4044/4885
US-20190210993-A1 Method for Aerobic Oxidative Coupling of Thiophenes with a Ligand-Supported Palladium Catalyst PPOX, TST, COX6C ALDH1A1 613/4885PRKCA 3769/4885PRKCD 4044/4885

“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.