SCHEMBL3486974

SCHEMBL3486974

Oc1cc(O)cc(CCC/C=C\CCCCCCCCCc2cc(O)cc(O)c2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CBS P35520 1/20 1.00
PTGS2 P35354 4/20 0.59
CYP3A4 P08684 1/20 0.55
LTA4H P09960 1/20 0.43
TRPV1 Q8NER1 1/20 0.40
ACHE P22303 1/20 0.39

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
SCHEMBL4273283 0.98 CBS (0.96) CBSPTGS2CYP3A4LTA4HTRPV1
SCHEMBL31546072 0.89 CBS (0.79) CBSPTGS2CYP3A4ACHE
SCHEMBL31545063 0.89 CBS (0.79) CBSPTGS2CYP3A4ACHE
SCHEMBL31545332 0.89 CBS (0.79) CBSPTGS2CYP3A4ACHE
SCHEMBL9472976 0.89 CBS (0.79) CBSPTGS2CYP3A4ACHE
SCHEMBL164545 0.89 CBS (0.79) CBSPTGS2CYP3A4ACHE
SCHEMBL15151838 0.89 CBS (0.79) CBSPTGS2CYP3A4ACHE
SCHEMBL31544858 0.89 CBS (0.79) CBSPTGS2CYP3A4ACHE
SCHEMBL31545757 0.89 CBS (0.79) CBSPTGS2CYP3A4ACHE
SCHEMBL31544875 0.89 CBS (0.79) CBSPTGS2CYP3A4ACHE

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-20090081119-A1 INHIBITING DNA POLYMERASE BETA TO ENHANCE EFFICACY OF ANTICANCER AGENTS UNIVERSITY OF PITTSBURGH-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2009-03-26 US claimed
US-20230040081-A1 VACCINIA VIRAL POLYMERASE-MEDIATED VIRAL REPLICATION IMMUNOLUX INTERNATIONAL CORP. 2023-02-09 US disclosed
US-20100048682-A1 INHIBITING DNA POLYMERASE BETA TO ENHANCE EFFICACY OF ANTICANCER AGENTS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2010-02-25 US disclosed
US-20090081119-A1 INHIBITING DNA POLYMERASE BETA TO ENHANCE EFFICACY OF ANTICANCER AGENTS UNIVERSITY OF PITTSBURGH-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2009-03-26 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-20230040081-A1 VACCINIA VIRAL POLYMERASE-MEDIATED VIRAL REPLICATION POLR1G, POLR1A, POLR1E CBS 3857/4885PTGS2 2419/4885CYP3A4 4173/4885

“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.