SCHEMBL4940751

SCHEMBL4940751

Cc1ccc(Cc2c(C)nc3c(C(=O)NCC4CCCO4)cnn3c2C)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.60
LMNA P02545 9/20 0.54
TP53 P04637 7/20 0.54
ALDH1A1 P00352 9/20 0.53
KDM4E B2RXH2 8/20 0.53
HPGD P15428 7/20 0.53
MAPT P10636 5/20 0.53
NPSR1 Q6W5P4 5/20 0.53
TSHR P16473 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
HTT P42858 3/20 0.53
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
RUVBL1 Q9Y265 2/20 0.51
RUVBL2 Q9Y230 1/20 0.51
GAA P10253 1/20 0.51
CASP1 P29466 1/20 0.51
CASP7 P55210 1/20 0.51
USP2 O75604 1/20 0.50
ALOX12 P18054 1/20 0.50

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
SCHEMBL4780930 0.93 LMNA (0.64) HSD17B10LMNATP53ALDH1A1KDM4E
SCHEMBL4725736 0.93 LMNA (0.62) HSD17B10LMNATP53ALDH1A1KDM4E
SCHEMBL4940985 0.90 ALDH1A1 (0.64) HSD17B10LMNATP53ALDH1A1KDM4E
SCHEMBL4796199 0.89 HPGD (0.64) HSD17B10LMNATP53ALDH1A1KDM4E
SCHEMBL4779873 0.87 KDM4E (0.64) HSD17B10LMNATP53ALDH1A1KDM4E
SCHEMBL4725441 0.87 KDM4E (0.62) HSD17B10LMNATP53ALDH1A1KDM4E
SCHEMBL4777718 0.87 ALDH1A1 (0.54) HSD17B10LMNATP53ALDH1A1KDM4E
SCHEMBL4939020 0.87 ALDH1A1 (0.62) HSD17B10LMNATP53ALDH1A1KDM4E
SCHEMBL902500 0.85 TP53 (0.52) HSD17B10LMNATP53ALDH1A1KDM4E
SCHEMBL15274737 0.85 TP53 (0.52) HSD17B10LMNATP53ALDH1A1KDM4E

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-20080221129-A1 New compounds BIOVITRUM AB (PUBL) (SE) 2008-09-11 US claimed
US-20080221129-A1 New compounds BIOVITRUM AB (PUBL) (SE) 2008-09-11 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-20080221129-A1 New compounds SCD, SCD5, FASN HSD17B10 47/4885LMNA 2075/4885TP53 1572/4885

“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.