SCHEMBL18930685

SCHEMBL18930685

CC(=O)C(C)CC(C)(C)N

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
HIF1A Q16665 1/20 0.36
GABRR1 P24046 2/20 0.31
ALDH1A1 P00352 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
GRM4 Q14833 1/20 0.30

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
SCHEMBL20804232 0.83 FDPS (0.31) GABRR1
SCHEMBL10879775 0.80 GABRR1 (0.46) CYP1A2CYP3A4CYP2C9HIF1AGABRR1
SCHEMBL12157045 0.79 ALDH1A1 (0.33) ALDH1A1TDP1
SCHEMBL19491568 0.79 ALDH1A1 (0.33) ALDH1A1TDP1
SCHEMBL1578753 0.78 TDP1 (0.33) CYP1A2CYP3A4CYP2C9HIF1ATDP1
SCHEMBL14215959 0.75 ALDH1A1 (0.31) ALDH1A1TDP1
SCHEMBL21302039 0.75
SCHEMBL19364153 0.75 CYP1A2 (0.33) CYP1A2CYP3A4CYP2C9HIF1A
SCHEMBL14459291 0.75 SMN1; SMN2 (0.37) CYP1A2CYP3A4CYP2C9HIF1AALDH1A1
SCHEMBL26385278 0.75 SMN1; SMN2 (0.37) CYP1A2CYP3A4CYP2C9HIF1AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220119409-A1 TRICYCLIC PYRIDONES AND PYRIMIDONES ERASCA, INC. 2022-04-21 US disclosed
WO-2017092759-A1 GEPHYRIN BINDING PEPTIDES AND USES THEREOF UNIVERSITY OF COPENHAGEN (DK) 2017-06-08 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-20220119409-A1 TRICYCLIC PYRIDONES AND PYRIMIDONES DHFR, TYMS, TYMP CYP1A2 77/4885CYP3A4 39/4885CYP2C9 140/4885

“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.