SCHEMBL7074781

SCHEMBL7074781

CCOC(C)(C)C(c1ccccc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.39
LMNA P02545 1/20 0.39
MMP8 P22894 1/20 0.39
RIPK1 Q13546 2/20 0.38
HTR2A P28223 3/20 0.38
SLC6A3 Q01959 2/20 0.38
POLB P06746 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
HRH1 P35367 2/20 0.36
CACNA1F O60840 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
ADRA2B P18089 1/20 0.36
CHRM3 P20309 1/20 0.36
ADRA1A P35348 1/20 0.36
OPRK1 P41145 1/20 0.36
CACNA1D Q01668 1/20 0.36
KCNH2 Q12809 1/20 0.36
CACNA1S Q13698 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
SCHEMBL6388790 0.78 TAAR1 (0.39) TAAR1RIPK1HTR2ASLC6A3SLC6A2
SCHEMBL1059509 0.76 EDNRB (0.42) LMNAHTR2ASLC6A3POLBSLC6A2
SCHEMBL1059507 0.76 EDNRB (0.42) LMNAHTR2ASLC6A3POLBSLC6A2
SCHEMBL3951516 0.74 TAAR1 (0.37) TAAR1RIPK1HTR2ASLC6A3SLC6A2
SCHEMBL53374 0.74 TAAR1 (0.37) TAAR1RIPK1HTR2ASLC6A3SLC6A2
SCHEMBL3526378 0.74 F2 (0.39) TAAR1RIPK1HTR2ASLC6A3SLC6A2
SCHEMBL7605011 0.73 RIPK1 (0.41) TAAR1LMNAMMP8RIPK1SLC6A3
SCHEMBL11770112 0.72 TAAR1 (0.40) TAAR1LMNARIPK1HTR2ASLC6A3
SCHEMBL9493203 0.71 LMNA (0.43) TAAR1LMNARIPK1HTR2ASLC6A3
SCHEMBL708398 0.71 LMNA (0.39) LMNAMMP8RIPK1HTR2ASLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030199531-A1 YIGSR peptidomimetics and methods for using the same UNITED STATES GOVERNMENT SECRETARY OF THE ARMY ARMY MEDICAL RESEARCH AND MATERIEL COMMAND 2003-10-23 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 (1 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-20030199531-A1 YIGSR peptidomimetics and methods for using the same PNISR, SRRM2, ARGLU1 TAAR1 1354/4885LMNA 736/4885MMP8 2027/4885

“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.