SCHEMBL10260434

SCHEMBL10260434

CCCCC(=O)c1[nH]c2cc(C)c(C(=O)OC)cc2c1CCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DVL1 O14640 2/20 0.64
DVL3 Q92997 2/20 0.64
GABRA1 P14867 3/20 0.45
GABRB2 P47870 3/20 0.45
ALOX15 P16050 7/20 0.43
CNR1 P21554 2/20 0.42
EGFR P00533 1/20 0.40
CDK2 P24941 1/20 0.40
KDM4E B2RXH2 1/20 0.40
PTPN2 P17706 1/20 0.39
PTPN1 P18031 1/20 0.39
CDC25B P30305 1/20 0.39
MCL1 Q07820 2/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL3078012 0.91 DVL1 (0.60) DVL1DVL3GABRA1GABRB2ALOX15
SCHEMBL10291567 0.88 DVL1 (0.48) DVL1DVL3GABRA1GABRB2ALOX15
SCHEMBL10260354 0.83 DVL1 (0.64) DVL1DVL3KDM4EALDH1A1MAPT
SCHEMBL10291569 0.83 DVL1 (0.44) DVL1DVL3GABRA1GABRB2ALOX15
SCHEMBL1913466 0.71 DVL1 (0.52) DVL1DVL3GABRA1GABRB2CNR1
SCHEMBL29381538 0.71 DVL1 (0.52) DVL1DVL3GABRA1GABRB2CNR1
SCHEMBL28649784 0.68 MEN1 (0.47) DVL1DVL3KDM4EMEN1KMT2A
SCHEMBL16672568 0.67 HTT (0.50) KDM4EMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL7381366 0.67 HTR6 (0.74) ALOX15KDM4EMCL1ALDH1A1MAPT
SCHEMBL28658878 0.66 L3MBTL1 (0.47) DVL1DVL3EGFRKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8211934-B2 Small molecule inhibition of PDZ-domain interaction THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-07-03 US disclosed
US-20110160263-A1 Small molecule inhibition of PDZ-domain interaction THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2011-06-30 US disclosed
US-7795295-B2 Small molecule inhibition of PDZ-domain interaction THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-09-14 US disclosed
US-20080064733-A1 Small Molecule Inhibition of Pdz-Domain Interaction THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2008-03-13 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 (2 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-20080064733-A1 Small Molecule Inhibition of Pdz-Domain Interaction DVL1, DVL3, PDLIM5 DVL1 1/4885DVL3 2/4885GABRA1 4622/4885
US-20110160263-A1 Small molecule inhibition of PDZ-domain interaction DVL1, DVL3, PDLIM5 DVL1 1/4885DVL3 2/4885GABRA1 4563/4885

“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.