SCHEMBL17337971

SCHEMBL17337971

O=C(O)/C=N/C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.45
CYP2C9 P11712 1/20 0.45
ABL1 P00519 1/20 0.40
RIN1 Q13671 1/20 0.40
EPHX2 P34913 3/20 0.35
EPHX1 P07099 1/20 0.35
TSHR P16473 2/20 0.35
ALDH1A1 P00352 2/20 0.35
SIGMAR1 Q99720 3/20 0.33
HSD17B10 Q99714 1/20 0.32
GAA P10253 1/20 0.32
P2RX7 Q99572 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HTT P42858 1/20 0.32
HSD11B1 P28845 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL17337972 1.00 THRB (0.45) THRBCYP2C9ABL1RIN1EPHX2
SCHEMBL17338027 0.98 THRB (0.44) THRBCYP2C9ABL1RIN1EPHX2
SCHEMBL17338030 0.98 THRB (0.44) THRBCYP2C9ABL1RIN1EPHX2
SCHEMBL2237337 0.81 PKM (0.39) THRBCYP2C9ALDH1A1HSD11B1
SCHEMBL12354507 0.81 PKM (0.39) THRBCYP2C9ALDH1A1HSD11B1
SCHEMBL17338028 0.79 ABL1 (0.38) THRBCYP2C9ABL1RIN1EPHX2
SCHEMBL985710 0.71 ABL1 (0.39) THRBCYP2C9ABL1RIN1TSHR
SCHEMBL985709 0.71 ABL1 (0.39) THRBCYP2C9ABL1RIN1TSHR
SCHEMBL985712 0.71 ABL1 (0.39) THRBCYP2C9ABL1RIN1TSHR
SCHEMBL17337974 0.69 ABL1 (0.32) ABL1RIN1SIGMAR1

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-20170128489-A1 ORGANO-TRANSITION METAL COMPLEXES FOR THE TREATMENT OF VIRAL INFECTIONS BRIGHAM YOUNG UNIVERSITY (US) 2017-05-11 US disclosed
WO-2015192037-A1 ORGANO-TRANSITION METAL COMPLEXES FOR THE TREATMENT OF VIRAL INFECTIONS BUSATH DAVID D (US) 2015-12-17 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 (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-20170128489-A1 ORGANO-TRANSITION METAL COMPLEXES FOR THE TREATMENT OF VIRAL INFECTIONS HVCN1, TRPM8, TRPM2 THRB 483/4885CYP2C9 2286/4885ABL1 1080/4885

“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.