SCHEMBL23455657

SCHEMBL23455657

C=CC(=O)NC(C)(C)c1ccccc1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
TGM2 P21980 3/20 0.41
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
EGFR P00533 3/20 0.36
MMP1 P03956 2/20 0.36
MMP2 P08253 2/20 0.36
MMP9 P14780 2/20 0.36
PDK1 Q15118 1/20 0.36
PDK2 Q15119 1/20 0.36
PDK3 Q15120 1/20 0.36
PDK4 Q16654 1/20 0.36
MAPK3 P27361 2/20 0.35
PTPN1 P18031 1/20 0.35
PTPN11 Q06124 1/20 0.35
GSTO1 P78417 1/20 0.35

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
SCHEMBL6435840 0.80 PDK1 (0.41) ALDH1A1CYP2C9SMN1; SMN2EGFRMMP1
Hydrochloric Acid SCHEMBL27485312 0.80 CYP3A4 (0.47) ALDH1A1CYP3A4CYP2C9CYP2C19TGM2
SCHEMBL5396951 0.77 ALDH1A1 (0.58) ALDH1A1CYP3A4CYP2C9CYP2C19TGM2
O-Xylene SCHEMBL11054792 0.72 TGM2 (0.50) ALDH1A1CYP3A4CYP2C9CYP2C19TGM2
SCHEMBL11035298 0.72 ANO1 (0.47) ALDH1A1MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL648951 0.72 NPC1 (0.62) ALDH1A1TGM2SMN1; SMN2EGFRMMP1
SCHEMBL9077152 0.71 TGM2 (0.50) ALDH1A1CYP3A4CYP2C9CYP2C19TGM2
SCHEMBL11303236 0.71 CYP3A4 (0.52) ALDH1A1CYP3A4MEN1KMT2AMMP2
SCHEMBL5057355 0.70 GABRA1 (0.43) ALDH1A1CYP2C9SMN1; SMN2EGFRMMP1
SCHEMBL29936164 0.70 HDAC3 (0.41) ALDH1A1CYP3A4CYP2C9CYP2C19KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210171438-A1 ACRYLAMIDE PHOTOINITIATORS COLOPLAST A/S (DK) 2021-06-10 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 (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-20210171438-A1 ACRYLAMIDE PHOTOINITIATORS AAAS, ACR, CRYAA ALDH1A1 368/4885CYP3A4 308/4885CYP2C9 234/4885

“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.