SCHEMBL23809172

SCHEMBL23809172

CC(C)c1cccc2cc(C(=O)O)n(CCN(C)C)c12

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.60
CYP1A2 P05177 1/20 0.60
POLB P06746 1/20 0.60
TSHR P16473 1/20 0.45
HTT P42858 1/20 0.45
FDPS P14324 1/20 0.42
CCR2 P41597 6/20 0.39
MCL1 Q07820 3/20 0.38
HEXA P06865 1/20 0.37
HEXB P07686 1/20 0.37
KDM4E B2RXH2 3/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CCR9 P51686 1/20 0.36
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL28720908 0.83 FDPS (0.47) ALDH1A1CYP1A2POLBFDPSCCR2
SCHEMBL23809128 0.82 CCR2 (0.42) ALDH1A1CYP1A2POLBFDPSCCR2
SCHEMBL6838172 0.82 ALDH1A1 (0.62) ALDH1A1CYP1A2POLBTSHRHTT
SCHEMBL6839017 0.82 ALDH1A1 (0.62) ALDH1A1CYP1A2POLBTSHRHTT
SCHEMBL23809361 0.80 CCR2 (0.58) FDPSCCR2CCR9
SCHEMBL23809274 0.79 CCR2 (0.40) ALDH1A1CYP1A2POLBFDPSCCR2
SCHEMBL23809126 0.78 FDPS (0.42) ALDH1A1CYP1A2POLBFDPSCCR2
SCHEMBL23809305 0.77 CCR9 (0.44) ALDH1A1CYP1A2POLBFDPSCCR2
SCHEMBL6750523 0.76 ALDH1A1 (0.97) ALDH1A1CYP1A2POLBTSHRHTT
SCHEMBL23809513 0.75 CCR2 (0.40) ALDH1A1CYP1A2POLBFDPSCCR2

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 ALDH1A1 2556/4885CYP1A2 4125/4885POLB 2458/4885

“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.