SCHEMBL31265616

SCHEMBL31265616

CC(C)(O)Cn1cnc2ccc(C=O)cc21

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.43
FGFR1 P11362 1/20 0.38
TLR7 Q9NYK1 1/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC8 Q9BY41 1/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
CYP2A6 P11509 1/20 0.35
ALDH1A1 P00352 2/20 0.34
POLB P06746 2/20 0.34
MAPT P10636 1/20 0.34
BRD4 O60885 2/20 0.34
NR3C1 P04150 1/20 0.34
NR3C2 P08235 1/20 0.34
ALDH1A3 P47895 1/20 0.33
LMNA P02545 1/20 0.33
AR P10275 1/20 0.33
EGFR P00533 1/20 0.33
APAF1 O14727 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
SCHEMBL5695756 0.81 HDAC1 (0.48) FGFR1HDAC1HDAC8CYP2A6ALDH1A1
SCHEMBL4247958 0.81 HDAC1 (0.39) FDPSFGFR1HDAC1HDAC8MTNR1A
SCHEMBL13313015 0.80 TNF (0.43) FDPSTLR7ALDH1A1POLBMAPT
SCHEMBL18638316 0.80 FDPS (0.43) FDPSFGFR1TLR7MTNR1AMTNR1B
SCHEMBL29463871 0.80 FDPS (0.43) FDPSFGFR1TLR7MTNR1AMTNR1B
SCHEMBL29463870 0.78 FDPS (0.43) FDPSTLR7MTNR1AMTNR1BMAPT
SCHEMBL15205932 0.78 FDPS (0.43) FDPSTLR7MTNR1AMTNR1BMAPT
SCHEMBL13931440 0.78 HDAC1 (0.50) FGFR1HDAC1HDAC8MTNR1AMTNR1B
SCHEMBL28684427 0.77 POLB (0.55) FDPSFGFR1HDAC1HDAC8CYP2A6
SCHEMBL18751783 0.76 MTNR1A (0.56) FDPSFGFR1TLR7MTNR1AMTNR1B

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-20240409609-A1 REVERSIBLE LYSINE COVALENT MODIFIERS OF EGFR AND USES THEREOF TERREMOTO BIOSCIENCES, INC. 2024-12-12 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-20240409609-A1 REVERSIBLE LYSINE COVALENT MODIFIERS OF EGFR AND USES THEREOF EGFR, ERBB2, ERBB3 FDPS 4362/4885FGFR1 466/4885TLR7 4565/4885

“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.