SCHEMBL10028433

SCHEMBL10028433

CC(C)=CCC/C(C)=C/C(O)C1C=CC2C(=O)N(C)C(=O)C2N1Nc1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PNKP Q96T60 20/20 0.69

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
SCHEMBL22000595 0.82 PNKP (1.00) PNKP
SCHEMBL22001040 0.82 PNKP (1.00) PNKP
SCHEMBL22000583 0.62 PNKP (1.00) PNKP
SCHEMBL2876902 0.62 KMT2A (0.44)
SCHEMBL18416408 0.62 TRPV1 (0.43)
SCHEMBL17186202 0.62 TRPV1 (0.43)
SCHEMBL22683129 0.61 PNKP (0.44) PNKP
SCHEMBL797945 0.60 MAPT (0.43)
SCHEMBL797946 0.60 MAPT (0.43)
SCHEMBL15303011 0.59 TRPV1 (0.48)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120040916-A1 MOLECULAR INHIBITORS OF THE WNT/BETA-CATENIN PATHWAY MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2012-02-16 US disclosed
US-20120040916-A1 MOLECULAR INHIBITORS OF THE WNT/BETA-CATENIN PATHWAY MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2012-02-16 US disclosed
WO-2010075282-A1 MOLECULAR INHIBITORS OF THE WNT/BETA-CATENIN PATHWAY UNIVERSITY OF WASHINGTON (US) 2010-07-01 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-20120040916-A1 MOLECULAR INHIBITORS OF THE WNT/BETA-CATENIN PATHWAY WNT1, CTNNB1, WNT3A PNKP 2533/4885

“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.