SCHEMBL22320657

SCHEMBL22320657

COc1cc(C)c(-c2c(-c3ccc(F)cc3)oc3ncnc(Cl)c23)c(C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TEK Q02763 9/20 0.47
KDR P35968 5/20 0.47
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 2/20 0.44
HPGD P15428 2/20 0.44
UBE2N P61088 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
CHEK1 O14757 1/20 0.41
CDK1 P06493 1/20 0.41
GSK3B P49841 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
NPSR1 Q6W5P4 2/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
POLB P06746 1/20 0.39
RAD52 P43351 1/20 0.39
MAPT P10636 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL22320597 0.88 TEK (0.48) TEKKDRALDH1A1KDM4EHPGD
SCHEMBL22320612 0.86 ALDH1A1 (0.41) TEKKDRALDH1A1KDM4EHPGD
SCHEMBL22320626 0.82 TEK (0.42) TEKKDRALDH1A1KDM4EHPGD
SCHEMBL1786166 0.80 TEK (0.71) TEKKDRALDH1A1KDM4EHPGD
SCHEMBL20742698 0.78 MAPT (0.43) TEKKDRALDH1A1SMN1; SMN2MEN1
SCHEMBL22320704 0.77 ALDH1A1 (0.41) TEKKDRALDH1A1KDM4EHPGD
SCHEMBL6848486 0.76 TNK2 (0.58) ALDH1A1KDM4EHPGDUBE2NSMN1; SMN2
SCHEMBL1785974 0.75 KDM4E (0.74) TEKKDRALDH1A1KDM4EHPGD
SCHEMBL2975999 0.75 KDM4E (0.74) TEKKDRALDH1A1KDM4EHPGD
SCHEMBL6202986 0.75 ALDH1A1 (0.45) TEKKDRALDH1A1KDM4EHPGD

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-20200255451-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE ABBVIE INC (US) 2020-08-13 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-20200255451-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE MCL1, BCL2A1, BCL2L10 TEK 3965/4885KDR 2141/4885ALDH1A1 647/4885

“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.