SCHEMBL5576516

SCHEMBL5576516

Cc1cc(C#N)ccc1Oc1ccc(C=O)c(C)n1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.40
ESRRA P11474 1/20 0.39
LRRK2 Q5S007 1/20 0.38
MAP4K4 O95819 3/20 0.36
MRGPRX4 Q96LA9 1/20 0.36
CFB P00751 4/20 0.35
PPARG P37231 1/20 0.34
S1PR1 P21453 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33
TBXA2R P21731 1/20 0.33
PDE10A Q9Y233 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
SCHEMBL4596546 0.87 MAP4K4 (0.37) ARMAP4K4
SCHEMBL4596118 0.81 MAP4K4 (0.51) MAP4K4GRIN1GRIN2B
SCHEMBL4597701 0.78 KDM4E (0.50) ARESRRALRRK2MRGPRX4S1PR1
SCHEMBL29956134 0.75 ALDH1A1 (0.43) ARLRRK2
SCHEMBL2460307 0.75 ALDH1A1 (0.43) ARLRRK2
SCHEMBL18570708 0.74 SCN8A (0.49) ARESRRATBXA2R
SCHEMBL4598575 0.74 HRH3 (0.46) ARESRRAMRGPRX4PPARG
SCHEMBL3689680 0.73 KDM4E (0.44) ARESRRA
SCHEMBL17354630 0.72 AR (0.44) ARESRRALRRK2MRGPRX4S1PR1
SCHEMBL4597649 0.71 AR (0.40) ARLRRK2PDE10A

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-20070066624-A1 Chemokine receptor binding compounds ANORMED, INC. (CA) 2007-03-22 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-20070066624-A1 Chemokine receptor binding compounds CCR5, CCR4, CCR1 AR 1077/4885ESRRA 689/4885LRRK2 1498/4885

“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.