SCHEMBL21741200

SCHEMBL21741200

CC(C)C(=O)OC(C)(C)CCCC(=O)OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
MAPK1 P28482 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
LMNA P02545 1/20 0.42
ADRB2 P07550 1/20 0.42
ADRB1 P08588 1/20 0.42
ADRB3 P13945 1/20 0.42
SLC15A1 P46059 1/20 0.41
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
HPGD P15428 1/20 0.39
NAAA Q02083 1/20 0.39
CDC25B P30305 1/20 0.39
CASP1 P29466 1/20 0.39
TDP1 Q9NUW8 2/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A3 Q01959 1/20 0.39
SYK P43405 1/20 0.39
EPHX2 P34913 1/20 0.38
MBOAT4 Q96T53 1/20 0.38

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
SCHEMBL15684106 0.82 ALDH1A1 (0.54) ALDH1A1MAPK1L3MBTL1LMNAADRB2
SCHEMBL20326171 0.80 ALDH1A1 (0.44) ALDH1A1MAPK1L3MBTL1LMNAKMT2A
SCHEMBL24448626 0.80 ALDH1A1 (0.44) ALDH1A1MAPK1L3MBTL1LMNAKMT2A
SCHEMBL3737614 0.79 HTT (0.54) ALDH1A1MAPK1L3MBTL1LMNAKMT2A
SCHEMBL3504292 0.79 NAAA (0.44) ALDH1A1ADRB2ADRB1ADRB3KMT2A
SCHEMBL18826684 0.78 ALDH1A1 (0.56) ALDH1A1MAPK1L3MBTL1LMNAKMT2A
SCHEMBL22481266 0.77 ALDH1A1 (0.53) ALDH1A1MAPK1L3MBTL1LMNAADRB2
SCHEMBL12990128 0.77 ALDH1A1 (0.53) ALDH1A1MAPK1L3MBTL1LMNAADRB2
SCHEMBL12933289 0.77 ALDH1A1 (0.53) ALDH1A1MAPK1L3MBTL1LMNAADRB2
SCHEMBL20943404 0.77 ALDH1A1 (0.46) ALDH1A1MAPK1L3MBTL1LMNAADRB2

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-20200055845-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. 2020-02-20 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-20200055845-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS ALDH1A1 4155/4885MAPK1 682/4885L3MBTL1 3262/4885

“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.