SCHEMBL23809274

SCHEMBL23809274

COCCOCCn1c(C(=O)O)cc2cccc(C(C)C)c21

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 5/20 0.40
FDPS P14324 1/20 0.39
MCL1 Q07820 4/20 0.37
CASR P41180 1/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP1A2 P05177 1/20 0.36
POLB P06746 1/20 0.36
CNR2 P34972 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
PKM P14618 1/20 0.35
NFKB1 P19838 1/20 0.35
RAB9A P51151 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
PTGER3 P43115 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
CCR9 P51686 1/20 0.34

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
SCHEMBL23809128 0.93 CCR2 (0.42) CCR2FDPSMCL1CASRALDH1A1
SCHEMBL26036582 0.89 CASR (0.36) CASRALDH1A1CNR2SMN1; SMN2KDM4E
SCHEMBL23809272 0.85 MCL1 (0.35) MCL1CASRALDH1A1SMN1; SMN2KDM4E
SCHEMBL26581647 0.85 CCR2 (0.42) CCR2FDPSMCL1CASRALDH1A1
SCHEMBL23809230 0.82 CASR (0.41) MCL1CASRALDH1A1CNR2KDM4E
SCHEMBL28720908 0.79 FDPS (0.47) CCR2FDPSMCL1ALDH1A1CYP1A2
SCHEMBL23809172 0.79 ALDH1A1 (0.60) CCR2FDPSMCL1ALDH1A1CYP1A2
SCHEMBL6754206 0.78 ALDH1A1 (0.59) CCR2MCL1ALDH1A1CYP1A2POLB
SCHEMBL23809284 0.77 ALDH1A1 (0.38) MCL1CASRALDH1A1KDM4E
SCHEMBL23809113 0.76 FABP3 (0.41) MCL1CASRALDH1A1KDM4E

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
EP-3423435-B1 SUBSTITUTED INDOLE MCL-1 INHIBITORS UNIV VANDERBILT (US) 2023-08-23 EP disclosed
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 CCR2 1975/4885FDPS 4399/4885MCL1 1/4885

“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.