SCHEMBL23809387

SCHEMBL23809387

CC(C)c1nn(C)c2c(C(=O)O)cccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.42
SSTR4 P31391 2/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
ADORA1 P30542 1/20 0.40
FABP4 P15090 3/20 0.39
NR4A1 P22736 1/20 0.39
NR4A2 P43354 1/20 0.39
NR4A3 Q92570 1/20 0.39
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TSHR P16473 1/20 0.37
MYC P01106 1/20 0.36
KDM4E B2RXH2 2/20 0.36
PPARA Q07869 4/20 0.36
PPARG P37231 1/20 0.36
KDM4A O75164 1/20 0.36
RAB9A P51151 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36

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
SCHEMBL15687391 0.84 NR4A2 (0.41) SSTR4ALDH1A1GAAADORA3ADORA1
SCHEMBL28932406 0.78 TSHR (0.41) DHODHALDH1A1FABP4NR4A1NR4A2
SCHEMBL23809394 0.76 MAPK13 (0.43) ALDH1A1GAAADORA1LMNATSHR
SCHEMBL19954876 0.76 SSTR4 (0.50) SSTR4ADORA3ADORA1LMNASMN1; SMN2
SCHEMBL31582863 0.74 ADORA3 (0.40) SSTR4ADORA3ADORA1LMNASMN1; SMN2
SCHEMBL23979724 0.74 ADORA3 (0.40) SSTR4ADORA3ADORA1LMNASMN1; SMN2
SCHEMBL31632929 0.72 MYC (0.49) DHODHALDH1A1FABP4TSHRMYC
SCHEMBL31632943 0.71 ALB (0.44) DHODHALDH1A1GAASMN1; SMN2TSHR
SCHEMBL70779 0.71 NR4A1 (0.50) DHODHALDH1A1FABP4NR4A1NR4A2
SCHEMBL23809338 0.71 FABP4 (0.40) DHODHFABP4NR4A1NR4A2NR4A3

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-20210283138-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY 2021-09-16 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-20210283138-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, BCL9 DHODH 3826/4885SSTR4 4805/4885ALDH1A1 2556/4885

“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.