SCHEMBL2227153

SCHEMBL2227153

Cc1cc(C)c(C=C(COCCP(=O)(O)O)C(=O)O)c(C)c1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
PGK1 P00558 1/20 0.31
PGK2 P07205 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL19858898 0.73 S1PR2 (0.32)
SCHEMBL2226589 0.71 GRIK1 (0.38)
SCHEMBL632667 0.68 S1PR2 (0.32) ALDH1A1KDM4EPGK1PGK2
SCHEMBL5373943 0.64 CA1 (0.41) ALDH1A1KDM4ESMN1; SMN2
SCHEMBL632365 0.63 AKR1C3 (0.45) ALDH1A1KDM4ESMN1; SMN2
SCHEMBL632366 0.63 AKR1C3 (0.45) ALDH1A1KDM4ESMN1; SMN2
SCHEMBL17455416 0.62 NPSR1 (0.32)
SCHEMBL632959 0.62 PEPD (0.34) ALDH1A1PGK1PGK2
Methacrylic Acid SCHEMBL2639348 0.61 BTN3A1 (0.33)
SCHEMBL28655176 0.61 PGK1 (0.40) ALDH1A1KDM4EPGK1PGK2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116350518-A Self-adhesive dental composite cement with good transparency 义获嘉伟瓦登特公司 2023-06-30 CN claimed
CN-116350519-A Sulfate-or phosphate-containing self-adhesive dental composite cements with good transparency 义获嘉伟瓦登特公司 2023-06-30 CN claimed
CN-105473628-B Adhesion enhancing additives and coating compositions containing the same 比克化学股份有限公司 2019-04-12 CN claimed
EP-3013874-B1 ADDITIVE THAT IMPROVES ADHESION AND COATING COMPOUND CONTAINING THE SAME BYK CHEMIE GMBH (DE) 2016-12-14 EP claimed
US-20160152859-A1 ADHESION-STRENGTHENING ADDITIVE AND COATING COMPOSITION CONTAINING SAME BYK-CHEMIE, GMBH (DE) 2016-06-02 US claimed
EP-3013874-A1 ADHESION-STRENGTHENING ADDITIVE AND COATING COMPOSITION CONTAINING SAME BYK-Chemie GmbH (DE) 2016-05-04 EP claimed
WO-2014206962-A1 ADHESION-STRENGTHENING ADDITIVE AND COATING COMPOSITION CONTAINING SAME BYK-CHEMIE GMBH (DE) 2014-12-31 WO claimed
CN-105473628-B Adhesion enhancing additives and coating compositions containing the same 比克化学股份有限公司 2019-04-12 CN disclosed
EP-2816049-B1 ß-ketophosphonic acids and all dental materials based thereon IVOCLAR VIVADENT AG (LI) 2018-05-30 EP disclosed
US-9783559-B2 β-Ketophosphonic acids and dental materials based thereon IVOCLAR VIVADENT AG (LI) 2017-10-10 US disclosed
EP-3013874-B1 ADDITIVE THAT IMPROVES ADHESION AND COATING COMPOUND CONTAINING THE SAME BYK CHEMIE GMBH (DE) 2016-12-14 EP disclosed
US-20160152859-A1 ADHESION-STRENGTHENING ADDITIVE AND COATING COMPOSITION CONTAINING SAME BYK-CHEMIE, GMBH (DE) 2016-06-02 US disclosed
US-20160145277-A1 B-Ketophosphonic Acids And Dental Materials Based Thereon IVOCLAR VIVADENT AG (LI) 2016-05-26 US disclosed
CN-105283460-A [Beta]-ketophosphonic acids and dental materials based thereon IVOCLAR VIVADENT AG 2016-01-27 CN disclosed
EP-2516495-B1 COMPOSITION COMPRISING STABLE POLYOL MIXTURES BYK CHEMIE GMBH (DE) 2015-07-29 EP disclosed
US-20120288700-A1 COATING COMPOSITION BYK-CHEMIE GMBH (DE) 2012-11-15 US disclosed
EP-2516495-A1 COMPOSITION COMPRISING STABLE POLYOL MIXTURES BYK-Chemie GmbH (DE) 2012-10-31 EP disclosed
WO-2011085775-A1 COMPOSITION COMPRISING STABLE POLYOL MIXTURES BYK-CHEMIE GMBH (DE) 2011-07-21 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-20160145277-A1 B-Ketophosphonic Acids And Dental Materials Based Thereon CYP2B6, GRM6, VKORC1 ALDH1A1 2885/4885KDM4E 2909/4885PGK1 211/4885

“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.