SCHEMBL22157679

SCHEMBL22157679

Cc1cc(C)c(C(=O)[PH](=O)C(=O)c2c(C)cc(C)cc2C)c(C)c1.[NaH]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 4/20 0.38
TAS1R1 Q7RTX1 4/20 0.38
TAS1R2 Q8TE23 4/20 0.38
KMT2A Q03164 3/20 0.37
HPGD P15428 2/20 0.37
KDM4E B2RXH2 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MCOLN3 Q8TDD5 1/20 0.37
ALDH1A1 P00352 3/20 0.36
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
TPMT P51580 1/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 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
SCHEMBL460621 0.98 TAS1R3 (0.39) TAS1R3TAS1R1TAS1R2KMT2AHPGD
SCHEMBL22157783 0.95 TAS1R3 (0.38) TAS1R3TAS1R1TAS1R2KMT2AHPGD
Ethane SCHEMBL8533300 0.95 TAS1R3 (0.38) TAS1R3TAS1R1TAS1R2KMT2AHPGD
Benzene SCHEMBL28241020 0.93 KDM4E (0.40) TAS1R3TAS1R1TAS1R2KMT2AHPGD
Propene SCHEMBL28249246 0.88 CRHR1 (0.35) TAS1R3TAS1R1TAS1R2KMT2AHPGD
SCHEMBL895435 0.85 CES2 (0.41) KMT2AHPGDMEN1LMNASMN1; SMN2
Dodecane SCHEMBL8532955 0.85 HPGD (0.39) KMT2AHPGDKDM4EL3MBTL1MEN1
SCHEMBL28385571 0.84 TAS1R3 (0.37) TAS1R3TAS1R1TAS1R2KMT2AHPGD
SCHEMBL4244313 0.82 TAS1R3 (0.38) TAS1R3TAS1R1TAS1R2KMT2AHPGD
SCHEMBL29089261 0.82 KDM4E (0.41) TAS1R3TAS1R1TAS1R2KMT2AHPGD

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
EP-3677241-B1 NON-SOLVENT-TYPE ADHESIVE COMPOSITION FOR DENTAL USE KURARAY NORITAKE DENTAL INC (JP) 2023-02-15 EP disclosed
US-11452674-B2 Non-solvent dental adhesive composition KURARAY NORITAKE DENTAL INC. (JP) 2022-09-27 US disclosed
EP-3677241-A1 NON-SOLVENT-TYPE ADHESIVE COMPOSITION FOR DENTAL USE Kuraray Noritake Dental Inc. (JP) 2020-07-08 EP disclosed
US-20200206091-A1 NON-SOLVENT DENTAL ADHESIVE COMPOSITION KURARAY NORITAKE DENTAL INC. (JP) 2020-07-02 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-11452674-B2 Non-solvent dental adhesive composition CDH1, VCL, MACF1 TAS1R3 307/4885TAS1R1 297/4885TAS1R2 402/4885
US-20200206091-A1 NON-SOLVENT DENTAL ADHESIVE COMPOSITION CDH1, VCL, MACF1 TAS1R3 307/4885TAS1R1 297/4885TAS1R2 402/4885

“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.