SCHEMBL20045954

SCHEMBL20045954

CC(C)c1c(Cl)n(C)c(=O)n(C)c1=O

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.39
RXFP1 Q9HBX9 1/20 0.39
ALDH1A1 P00352 4/20 0.34
KDM4E B2RXH2 3/20 0.34
LMNA P02545 3/20 0.34
HTT P42858 3/20 0.34
HPGD P15428 2/20 0.34
JAK2 O60674 1/20 0.34
PAX8 Q06710 1/20 0.34
LGMN Q99538 1/20 0.33
MAPK1 P28482 3/20 0.33
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ADORA2A P29274 1/20 0.31
PLA2G7 Q13093 1/20 0.31
GLA P06280 1/20 0.31
ATM Q13315 1/20 0.31
ADORA3 P0DMS8 1/20 0.31

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
SCHEMBL20051825 0.79 KMT2A (0.33) KMT2ARXFP1ALDH1A1KDM4ELMNA
SCHEMBL14803801 0.76 LMNA (0.43) KMT2ARXFP1ALDH1A1KDM4ELMNA
SCHEMBL9769938 0.72 ALDH1A1 (0.42) KMT2ARXFP1ALDH1A1KDM4ELMNA
SCHEMBL7793957 0.70 KMT2A (0.43) KMT2ARXFP1ALDH1A1KDM4ELMNA
SCHEMBL17242241 0.68 KMT2A (0.39) KMT2ARXFP1ALDH1A1KDM4ELMNA
SCHEMBL7802796 0.65 KMT2A (0.40) KMT2AALDH1A1KDM4ELMNAHTT
SCHEMBL474385 0.65 KMT2A (0.49) KMT2AALDH1A1KDM4ELMNAHTT
SCHEMBL10839654 0.65 KMT2A (0.44) KMT2ARXFP1ALDH1A1KDM4ELMNA
SCHEMBL12611135 0.64 LMNA (0.35) KMT2ARXFP1LMNAADORA3
SCHEMBL479900 0.64 KDM4E (0.51) KMT2ARXFP1ALDH1A1KDM4ELMNA

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
US-20180099005-A1 CHITOSAN COVALENTLY LINKED WITH SMALL MOLECULE INTEGRIN ANTAGONIST FOR TARGETED DELIVERY HOFFMANN-LA ROCHE, INC. 2018-04-12 US disclosed
US-20180099005-A1 CHITOSAN COVALENTLY LINKED WITH SMALL MOLECULE INTEGRIN ANTAGONIST FOR TARGETED DELIVERY HOFFMANN-LA ROCHE, INC. 2018-04-12 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-20180099005-A1 CHITOSAN COVALENTLY LINKED WITH SMALL MOLECULE INTEGRIN ANTAGONIST FOR TARGETED DELIVERY ITGB1, ITGA4, ITGB4 KMT2A 3006/4885RXFP1 781/4885ALDH1A1 2009/4885

“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.