SCHEMBL1913466

SCHEMBL1913466

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

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ DVL1 O14640 3/20 0.52
▸ DVL3 Q92997 3/20 0.52
▸ BRS3 P32247 3/20 0.39
▸ RARB P10826 1/20 0.38
▸ EGFR P00533 1/20 0.37
▸ CDK2 P24941 1/20 0.37
▸ GABRA1 P14867 1/20 0.37
▸ GABRB2 P47870 1/20 0.37
▸ PPARG P37231 4/20 0.36
▸ ADRB2 P07550 1/20 0.36
▸ CNR1 P21554 1/20 0.35
▸ DHODH Q02127 1/20 0.35
▸ PTGES O14684 1/20 0.35
▸ ALOX5 P09917 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
SCHEMBL29381538 1.00 DVL1 (0.52) DVL1DVL3BRS3RARBEGFR
SCHEMBL10259840 0.89 DVL1 (0.38) DVL1DVL3EGFRCDK2GABRA1
SCHEMBL3078012 0.80 DVL1 (0.60) DVL1DVL3RARBEGFRCDK2
SCHEMBL4251120 0.73 DVL1 (0.52) DVL1DVL3RARBEGFRCDK2
SCHEMBL10291567 0.70 DVL1 (0.48) DVL1DVL3EGFRCDK2GABRA1
SCHEMBL4431001 0.67 ADRB2 (0.47) DVL1DVL3RARBADRB2CNR1
SCHEMBL6028909 0.66 MLKL (0.36) DVL1DVL3RARB
SCHEMBL28006996 0.65 RARB (0.39) BRS3RARBPPARGPTGESALOX5
SCHEMBL28006956 0.65 RARB (0.59) RARB
SCHEMBL21303574 0.65 RARB (0.36) BRS3RARBPPARGPTGESALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230285498-A1 TREATMENTS FOR CANCERS HAVING KRAS MUTATIONS CITY OF HOPE 2023-09-14 — — US disclosed
US-20140255426-A1 WNT PATHWAY INHIBITORS FOR TREATING VIRAL INFECTIONS EMORY UNIVERSITY (US) 2014-09-11 — — US disclosed
US-8211934-B2 Small molecule inhibition of PDZ-domain interaction THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-07-03 — — US disclosed
US-8211934-B2 Small molecule inhibition of PDZ-domain interaction THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-07-03 — — US disclosed
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-20110160263-A1 Small molecule inhibition of PDZ-domain interaction THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2011-06-30 — — 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-7795295-B2 Small molecule inhibition of PDZ-domain interaction THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-09-14 — — 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
US-20080064733-A1 Small Molecule Inhibition of Pdz-Domain Interaction THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2008-03-13 — — 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 2/4885BRS3 3914/4885
US-20110160263-A1 Small molecule inhibition of PDZ-domain interaction DVL1, DVL3, PDLIM5 DVL1 1/4885DVL3 2/4885BRS3 3911/4885

“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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