SCHEMBL21998467

SCHEMBL21998467

CCN1CCc2scc(C(C)C)c2C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.38
RAD52 P43351 1/20 0.35
RECQL P46063 1/20 0.35
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 2/20 0.35
ALDH1A1 P00352 2/20 0.35
GAA P10253 2/20 0.35
MAPT P10636 2/20 0.35
HPGD P15428 2/20 0.35
KMT2A Q03164 2/20 0.35
ALOX15 P16050 2/20 0.35
MAPK1 P28482 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
PTK2B Q14289 1/20 0.35
ESR2 Q92731 1/20 0.35
HSD17B10 Q99714 1/20 0.35
SIGMAR1 Q99720 2/20 0.33
CHRM3 P20309 1/20 0.33
HRH3 Q9Y5N1 1/20 0.32

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
SCHEMBL21018473 0.88 PNMT (0.36) PNMTRAD52RECQLKDM4EMEN1
SCHEMBL18368356 0.88 KMT2A (0.40) PNMTRAD52RECQLKDM4EMEN1
SCHEMBL22597648 0.78 PNMT (0.40) PNMTRAD52RECQLKDM4EMEN1
SCHEMBL21017823 0.70 ALDH1A1 (0.33) KDM4EMEN1ALDH1A1GAAMAPT
SCHEMBL18368358 0.69 MAPT (0.36) RAD52KDM4EMEN1ALDH1A1GAA
SCHEMBL18378946 0.69 ALDH1A1 (0.43) PNMTRAD52RECQLKDM4EMEN1
SCHEMBL16154962 0.69 PNMT (0.51) PNMTMEN1KMT2AHRH3
SCHEMBL25478156 0.69 MAPT (0.39) KDM4EALDH1A1GAAMAPTHPGD
SCHEMBL18379233 0.68 KMT2A (0.49) PNMTRAD52RECQLKDM4EMEN1
SCHEMBL23551266 0.68 KMT2A (0.42) RECQLKDM4EMEN1ALDH1A1GAA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230120736-A1 ANTI-CD98 ANTIBODIES AND ANTIBODY DRUG CONJUGATES ABBVIE INC (US) 2023-04-20 US disclosed
US-20200239553-A1 BCL-XL Inhibitory Compounds and Antibody Drug Conjugates Including the Same ABBVIE INC. (US) 2020-07-30 US disclosed
US-20200147235-A1 ANTI-CD98 ANTIBODIES AND ANTIBODY DRUG CONJUGATES ABBVIE INC. 2020-05-14 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 (3 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-20200239553-A1 BCL-XL Inhibitory Compounds and Antibody Drug Conjugates Including the Same BCL2, BCL2L10, BAX PNMT 4278/4885RAD52 2565/4885RECQL 3390/4885
US-20230120736-A1 ANTI-CD98 ANTIBODIES AND ANTIBODY DRUG CONJUGATES CD99, SLC3A2, CD63 PNMT 1935/4885RAD52 2361/4885RECQL 3529/4885
US-20200147235-A1 ANTI-CD98 ANTIBODIES AND ANTIBODY DRUG CONJUGATES CD99, SLC3A2, CD63 PNMT 1935/4885RAD52 2361/4885RECQL 3529/4885

“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.