SCHEMBL10169593

SCHEMBL10169593

CC(NC1=C(C=O)CCCC1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 1/20 0.46
▸ TAAR1 Q96RJ0 2/20 0.44
▸ POLB P06746 1/20 0.44
▸ LMNA P02545 4/20 0.41
▸ RECQL P46063 1/20 0.41
▸ KDM4E B2RXH2 4/20 0.40
▸ GAA P10253 2/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ MEN1 O00255 4/20 0.39
▸ KMT2A Q03164 4/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.37
▸ MAPT P10636 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ EPHX1 P07099 2/20 0.35
▸ NPC1 O15118 1/20 0.35

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
SCHEMBL14847482 1.00 CYP2D6 (0.46) CYP2D6TAAR1POLBLMNARECQL
SCHEMBL12846428 1.00 CYP2D6 (0.46) CYP2D6TAAR1POLBLMNARECQL
SCHEMBL22240503 0.80 TAAR1 (0.38) CYP2D6TAAR1POLBLMNARECQL
SCHEMBL6871392 0.77 CYP2D6 (0.50) CYP2D6TAAR1POLBLMNARECQL
SCHEMBL13039964 0.77 CYP2D6 (0.50) CYP2D6TAAR1POLBLMNARECQL
SCHEMBL6725960 0.75 CYP2D6 (0.49) CYP2D6TAAR1POLBLMNARECQL
SCHEMBL1044302 0.75 CYP2D6 (0.49) CYP2D6TAAR1POLBLMNARECQL
SCHEMBL13823414 0.74 SMN1; SMN2 (0.37) CYP2D6TAAR1POLBLMNARECQL
SCHEMBL17339199 0.72 CYP2D6 (0.46) CYP2D6TAAR1POLBLMNARECQL
SCHEMBL6719047 0.72 CYP2D6 (0.46) CYP2D6TAAR1POLBLMNARECQL

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-20120021530-A1 HETEROGENEOUS FOLDAMERS CONTAINING alpha, beta, and/or gamma-AMINO ACIDS WISCONSIN ALUMNI RESEARCH FOUNDATION 2012-01-26 — — 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-20120021530-A1 HETEROGENEOUS FOLDAMERS CONTAINING alpha, beta, and/or gamma-AMINO ACIDS DNPEP, PRKCSH, YWHAZ CYP2D6 4674/4885TAAR1 4499/4885POLB 544/4885

“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.

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