SCHEMBL13040596

SCHEMBL13040596

CSC(Oc1cc2cc(C)cnc2c(C)c1C)C(C)=O

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.36
CCR5 P51681 2/20 0.36
CCR8 P51685 2/20 0.36
PARP1 P09874 1/20 0.35
KDM4E B2RXH2 1/20 0.33
PSMD14 O00487 1/20 0.33
COPS5 Q92905 1/20 0.33

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
SCHEMBL13040597 0.84 PARP1 (0.30) PARP1
SCHEMBL13040595 0.75 PARP1 (0.38) PARP1
SCHEMBL14869156 0.71 CCR1 (0.36) CCR1CCR5CCR8PARP1KDM4E
SCHEMBL633373 0.69 HSD17B10 (0.32) KDM4E
SCHEMBL14869197 0.68 CCR1 (0.33) CCR1CCR5CCR8PARP1KDM4E
SCHEMBL13077461 0.68 POLB (0.31) CCR1CCR5CCR8PARP1
SCHEMBL377288 0.65 CCR1 (0.38) CCR1CCR5CCR8PARP1KDM4E
SCHEMBL13040588 0.64 CCR1 (0.56) CCR1CCR5CCR8PARP1KDM4E
SCHEMBL13077888 0.64 MEN1 (0.32)
SCHEMBL23905544 0.64 HCAR2 (0.37) CCR1CCR5CCR8PARP1KDM4E

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-20100280068-A1 QUINOLINE DERIVATIVES AND THEIR USE AS FUNGICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-11-04 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-20100280068-A1 QUINOLINE DERIVATIVES AND THEIR USE AS FUNGICIDES CYP1A1, CYP3A7, CYP1A2 CCR1 2987/4885CCR5 3893/4885CCR8 4261/4885

“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.