SCHEMBL23809338

SCHEMBL23809338

CC(C)c1cn(C)c2c(C(=O)O)cccc12

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 3/20 0.40
NR4A1 P22736 1/20 0.40
NR4A2 P43354 1/20 0.40
NR4A3 Q92570 1/20 0.40
S1PR1 P21453 1/20 0.39
S1PR3 Q99500 1/20 0.39
ACE2 Q9BYF1 1/20 0.38
MCL1 Q07820 1/20 0.38
BAD Q92934 1/20 0.38
KDM4E B2RXH2 1/20 0.38
NOTUM Q6P988 1/20 0.37
MYC P01106 1/20 0.37
SLC22A12 Q96S37 1/20 0.37
DHODH Q02127 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CDC25B P30305 1/20 0.36
POLB P06746 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
SCHEMBL28194409 0.83 FABP4 (0.39) FABP4NR4A1NR4A2NR4A3ACE2
SCHEMBL23809344 0.81 NOTUM (0.40) ACE2MCL1BADKDM4ENOTUM
SCHEMBL7868347 0.79 FABP4 (0.48) FABP4NR4A1NR4A2NR4A3S1PR1
SCHEMBL13806232 0.78 MMP2 (0.44) FABP4NR4A1NR4A2NR4A3S1PR1
SCHEMBL23809439 0.76 ACE2 (0.49) FABP4ACE2KDM4ENOTUMMEN1
SCHEMBL9284570 0.76 AKR1C3 (0.37) FABP4NR4A1ACE2MCL1KDM4E
SCHEMBL23809360 0.75 KDM4E (0.40) NR4A2MCL1BADKDM4ENOTUM
SCHEMBL12536106 0.75 ALKBH5 (0.42) KDM4ESLC22A12MEN1KMT2A
SCHEMBL9280909 0.74 MTNR1A (0.40) KDM4ECDC25BPOLB
SCHEMBL23809124 0.73 ACE2 (0.56) NR4A1NR4A2NR4A3ACE2KDM4E

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 FABP4 3317/4885NR4A1 3610/4885NR4A2 2684/4885

“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.