SCHEMBL5712980

SCHEMBL5712980

C=C(C)C(=O)NCCCCCP(=O)(OCC)OCCCNC(=O)C(=C)C

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
PPARD Q03181 1/20 0.37
KDM4E B2RXH2 1/20 0.33
MAPK1 P28482 1/20 0.33
HIF1A Q16665 1/20 0.33

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
SCHEMBL491741 0.89 CA12 (0.45) CA12CA1CA2CA9PPARD
SCHEMBL3346379 0.85 CA12 (0.44) CA12CA1CA2CA9PPARD
SCHEMBL3345630 0.82 PPARD (0.46) CA12CA1CA2CA9PPARD
SCHEMBL16384701 0.78 TSHR (0.42) CA12CA1CA2CA9PPARD
SCHEMBL812188 0.77 LPAR3 (0.49) CA12CA1CA2CA9KDM4E
SCHEMBL28707552 0.77 LPAR3 (0.49) CA12CA1CA2CA9KDM4E
SCHEMBL3371494 0.77 LPAR3 (0.49) CA12CA1CA2CA9KDM4E
SCHEMBL8847181 0.76 LPAR3 (0.43) CA12CA1CA2CA9
SCHEMBL4229904 0.76 CA12 (0.51) CA12CA1CA2CA9PPARD
SCHEMBL8975603 0.76 CA12 (0.40) CA12CA1CA2CA9KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1414385-B1 ONE-PART SELF-PRIMING DENTAL ADHESIVE DENTSPLY INT INC (US) 2006-12-20 EP disclosed
US-6812266-B2 FOR BONDING DENTAL RESTORATIVES TO DENTIN AND ENAMEL DENTSPLY DETREY GMBH (DE) 2004-11-02 US disclosed
EP-1414385-A1 ONE-PART SELF-PRIMING DENTAL ADHESIVE DENTSPLY INTERNATIONAL, INC. (US) 2004-05-06 EP disclosed
US-20030055124-A1 Hydrolysis stable one-part self-etching, self-priming dental adhesive DENTSPLY DETREY GMBH (DE) 2003-03-20 US disclosed
WO-2003013444-A1 ONE-PART SELF-PRIMING DENTAL ADHESIVE DENTSPLY INTERNATIONAL INC. (US) 2003-02-20 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-20030055124-A1 Hydrolysis stable one-part self-etching, self-priming dental adhesive PDAP1, CDH1, DPEP1 CA12 777/4885CA1 59/4885CA2 2252/4885

“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.