SCHEMBL22855686

SCHEMBL22855686

C=CC(=O)NCc1cc(CC(C)(C)C)cc(CNC(=O)C=C)c1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.47
THRA P10827 1/20 0.43
THRB P10828 1/20 0.43
TGM2 P21980 1/20 0.43
ALDH1A1 P00352 3/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
BTK Q06187 5/20 0.37
EGFR P00533 2/20 0.37
TSHR P16473 2/20 0.36
MAPK1 P28482 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPT P10636 1/20 0.33
BLM P54132 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
SCHEMBL18636747 0.94 GAA (0.43) GAATHRATHRBTGM2ALDH1A1
SCHEMBL18630160 0.86 THRA (0.46) GAATHRATHRBTGM2ALDH1A1
SCHEMBL18630143 0.83 TGM2 (0.46) GAATHRATHRBTGM2ALDH1A1
SCHEMBL11795978 0.80 TGM2 (0.50) GAATHRATHRBTGM2ALDH1A1
SCHEMBL18630146 0.78 TGM2 (0.42) GAATGM2ALDH1A1TSHRMAPK1
SCHEMBL28511134 0.77 TGM2 (0.49) GAATGM2ALDH1A1BTKEGFR
SCHEMBL11793243 0.76 TGM2 (0.46) GAATHRATHRBTGM2ALDH1A1
SCHEMBL4325063 0.74 GAA (0.70) GAATGM2ALDH1A1CYP3A4CYP2C9
SCHEMBL27978331 0.74 TGM2 (0.46) GAATGM2ALDH1A1BTKEGFR
SCHEMBL11796052 0.74 GAA (0.45) GAATHRATHRBTGM2EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11224557-B2 Dental composition DENTSPLY SIRONA INC (US) 2022-01-18 US disclosed
US-20220000721-A1 BIFUNCTIONAL AND POLYFUNCTIONAL COINITIATORS IN DENTAL COMPOSITIONS DENTSPLY SIRONA INC. (US) 2022-01-06 US disclosed
US-20200405585-A1 DENTAL COMPOSITION DENTSPLY SIRONA INC. (US) 2020-12-31 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 (3 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-11224557-B2 Dental composition GPX4, GPX1, NOXO1 GAA 3279/4885THRA 4027/4885THRB 4564/4885
US-20220000721-A1 BIFUNCTIONAL AND POLYFUNCTIONAL COINITIATORS IN DENTAL COMPOSITIONS DUOX2, DUOX1, QSOX1 GAA 2841/4885THRA 3004/4885THRB 3213/4885
US-20200405585-A1 DENTAL COMPOSITION CBR3, CBR1, PRDX3 GAA 2604/4885THRA 3979/4885THRB 4516/4885

“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.