SCHEMBL4940985

SCHEMBL4940985

Cc1cccc(Cc2c(C)nc3c(C(=O)NCC4CCCO4)cnn3c2C)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.64
HPGD P15428 11/20 0.64
KDM4E B2RXH2 11/20 0.64
LMNA P02545 9/20 0.64
MAPT P10636 8/20 0.64
TP53 P04637 7/20 0.64
NPSR1 Q6W5P4 6/20 0.64
HTT P42858 5/20 0.64
HSD17B10 Q99714 5/20 0.64
TSHR P16473 5/20 0.64
SMN1; SMN2 Q16637 4/20 0.64
KMT2A Q03164 4/20 0.64
MEN1 O00255 3/20 0.64
USP2 O75604 1/20 0.64
ALOX12 P18054 1/20 0.64
CASP1 P29466 3/20 0.51
CASP7 P55210 3/20 0.51
MAPK1 P28482 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
GAA P10253 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
SCHEMBL4777718 0.92 ALDH1A1 (0.54) ALDH1A1HPGDKDM4ELMNAMAPT
SCHEMBL4725441 0.92 KDM4E (0.62) ALDH1A1HPGDKDM4ELMNAMAPT
SCHEMBL4939020 0.92 ALDH1A1 (0.62) ALDH1A1HPGDKDM4ELMNAMAPT
SCHEMBL4725736 0.92 LMNA (0.62) ALDH1A1HPGDKDM4ELMNAMAPT
SCHEMBL4778416 0.91 HPGD (0.62) ALDH1A1HPGDKDM4ELMNAMAPT
SCHEMBL4940751 0.90 HSD17B10 (0.60) ALDH1A1HPGDKDM4ELMNAMAPT
SCHEMBL4796199 0.88 HPGD (0.64) ALDH1A1HPGDKDM4ELMNAMAPT
SCHEMBL4780930 0.87 LMNA (0.64) ALDH1A1HPGDKDM4ELMNAMAPT
SCHEMBL4779873 0.86 KDM4E (0.64) ALDH1A1HPGDKDM4ELMNAMAPT
SCHEMBL4778232 0.84 TP53 (0.61) ALDH1A1HPGDKDM4ELMNAMAPT

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 4 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-20130096181-A1 METHODS OF USING SCD1 ANTAGONISTS GENENTECH, INC. (US) 2013-04-18 US disclosed
US-20130096181-A1 METHODS OF USING SCD1 ANTAGONISTS GENENTECH, INC. (US) 2013-04-18 US disclosed
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 (2 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-20130096181-A1 METHODS OF USING SCD1 ANTAGONISTS SCD, SELPLG, SCD5 ALDH1A1 414/4885HPGD 1137/4885KDM4E 3864/4885
US-20080221129-A1 New compounds SCD, SCD5, FASN ALDH1A1 858/4885HPGD 279/4885KDM4E 3813/4885

“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.