SCHEMBL23809505

SCHEMBL23809505

Cc1cc(C(C)C)c2c(c1)c(C(=O)O)cn2Cc1ccccn1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.56
SLC22A12 Q96S37 1/20 0.45
ADRA1D P25100 1/20 0.42
ALDH1A1 P00352 7/20 0.39
HPGD P15428 2/20 0.39
KDM4C Q9H3R0 1/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
HSD17B10 Q99714 2/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
MAPT P10636 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
POLB P06746 1/20 0.36
ACHE P22303 1/20 0.36
NPSR1 Q6W5P4 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
SCHEMBL23809502 0.83 KDM4E (0.49) KDM4ESLC22A12ADRA1DALDH1A1HPGD
SCHEMBL23809508 0.82 KDM4E (0.48) KDM4ESLC22A12ADRA1DALDH1A1KMT2A
SCHEMBL26581454 0.78 KDM4E (0.66) KDM4ESLC22A12ADRA1DALDH1A1HPGD
SCHEMBL26581613 0.77 KDM4E (0.56) KDM4ESLC22A12ADRA1DALDH1A1HPGD
SCHEMBL23809353 0.76 ALDH1A1 (0.44) KDM4EALDH1A1HPGDKDM4CKMT2A
SCHEMBL23809352 0.75 KDM4E (0.43) KDM4ESLC22A12ALDH1A1KMT2AMEN1
SCHEMBL26581620 0.73 KDM4E (0.52) KDM4ESLC22A12ADRA1DALDH1A1HPGD
SCHEMBL28265757 0.73 SLC22A12 (0.74) KDM4ESLC22A12ALDH1A1KMT2AMEN1
SCHEMBL23809103 0.73 KDM4E (0.42) KDM4ESLC22A12ALDH1A1KMT2AMEN1
SCHEMBL23809436 0.72 MAOB (0.42) KDM4EALDH1A1SMN1; SMN2TSHRMAPT

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 KDM4E 1156/4885SLC22A12 3136/4885ADRA1D 4140/4885

“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.