SCHEMBL424253

SCHEMBL424253

C=C(C)C(=O)OO.O=C1CCCCCO1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.52
CA9 Q16790 1/20 0.52
PGR P06401 2/20 0.35
FKBP4 Q02790 3/20 0.32
ALDH1A1 P00352 3/20 0.31
KMT2A Q03164 1/20 0.31
ATM Q13315 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
TSHR P16473 1/20 0.31

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
Butyrolactone SCHEMBL29006003 0.93 CA1 (0.45) CA1CA9ALDH1A1KMT2AATM
SCHEMBL7778762 0.87 CA1 (0.52) CA1CA9PGRFKBP4ALDH1A1
SCHEMBL17867649 0.86 CA1 (0.50) CA1CA9PGRFKBP4ALDH1A1
SCHEMBL31483534 0.84 CA1 (0.48) CA1CA9PGRFKBP4ALDH1A1
SCHEMBL28461724 0.83 CA1 (0.47) CA1CA9PGRALDH1A1KMT2A
Methacrylic Acid SCHEMBL5815522 0.83 CA1 (0.59) CA1CA9PGRFKBP4ALDH1A1
Methacrylic Acid SCHEMBL36254 0.83 CA1 (0.59) CA1CA9PGRFKBP4ALDH1A1
Methacrylic Acid SCHEMBL326715 0.83 CA1 (0.59) CA1CA9PGRFKBP4ALDH1A1
SCHEMBL28038048 0.83 CA1 (0.59) CA1CA9PGRFKBP4ALDH1A1
SCHEMBL27851640 0.82 CA1 (0.70) CA1CA9PGRFKBP4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8735464-B2 Radically curable urethane dimethacrylates and compositions thereof for tougher dental prosthetics PULPDENT CORPORATION (US) 2014-05-27 US claimed
US-20130041067-A1 Radically Curable Urethane Dimethacrylates and Compositions Thereof for Tougher Dental Prosthetics PULPDENT CORPORATION (US) 2013-02-14 US claimed
US-20120021383-A1 Radically Curable Urethane Dimethacrylates and Compositions Thereof for Tougher Dental Prosthetics PULPDENT CORPORATION (US) 2012-01-26 US claimed
US-8735464-B2 Radically curable urethane dimethacrylates and compositions thereof for tougher dental prosthetics PULPDENT CORPORATION (US) 2014-05-27 US disclosed
US-20130041067-A1 Radically Curable Urethane Dimethacrylates and Compositions Thereof for Tougher Dental Prosthetics PULPDENT CORPORATION (US) 2013-02-14 US disclosed
US-8292625-B2 Radically curable urethane dimethacrylates and compositions thereof for tougher dental prosthetics PULPDENT CORPORATION (US) 2012-10-23 US disclosed
US-20120021383-A1 Radically Curable Urethane Dimethacrylates and Compositions Thereof for Tougher Dental Prosthetics PULPDENT CORPORATION (US) 2012-01-26 US disclosed
US-5536775-A ACRYLATED EPOXY RESIN; PROTECTIVE COATINGS ON FLOORING SANDOZ LTD. (CH) 1996-07-16 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-20120021383-A1 Radically Curable Urethane Dimethacrylates and Compositions Thereof for Tougher Dental Prosthetics XRCC6, PUF60, ESD CA1 460/4885CA9 3949/4885PGR 2601/4885
US-20130041067-A1 Radically Curable Urethane Dimethacrylates and Compositions Thereof for Tougher Dental Prosthetics XRCC6, PUF60, ESD CA1 460/4885CA9 3949/4885PGR 2601/4885

“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.