SCHEMBL18737487

SCHEMBL18737487

CC(C)(C)OC/C=C/C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
GABRR1 P24046 2/20 0.41
GABRR2 P28476 2/20 0.41
BLM P54132 2/20 0.41
GABRR3 A8MPY1 1/20 0.41
LMNA P02545 1/20 0.41
APEX1 P27695 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HCAR2 Q8TDS4 6/20 0.35
TP53 P04637 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35
EGLN3 Q9H6Z9 1/20 0.35
AKT1 P31749 1/20 0.32
MAPK1 P28482 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
SCHEMBL12370945 0.82 MAPK1 (0.30) MAPK1
SCHEMBL9005354 0.78 HCAR2 (0.48) TDP1HCAR2AKT1
SCHEMBL2073751 0.76 MAPK1 (0.32) MAPK1
SCHEMBL9005303 0.75 MAPT (0.49) LMNANPSR1HCAR2
SCHEMBL9697274 0.74 MAPK1 (0.35) MAPK1
SCHEMBL9697280 0.74 MAPK1 (0.35) MAPK1
SCHEMBL10898951 0.74 ALDH1A1 (0.44) BLMLMNAHCAR2AKT1MAPK1
SCHEMBL41826 0.73
SCHEMBL18131527 0.73
SCHEMBL41825 0.73

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-20230242548-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-08-03 US disclosed
US-9676785-B2 HCV protease inhibitors and uses thereof CELGENE CAR LLC (BM) 2017-06-13 US disclosed
US-20170100397-A1 HETEROARYL COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2017-04-13 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-20170100397-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 TSHR 2837/4885GABRR1 381/4885GABRR2 243/4885
US-20230242548-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER KRAS, HRAS, NRAS TSHR 4752/4885GABRR1 1994/4885GABRR2 2119/4885

“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.