SCHEMBL3544037

SCHEMBL3544037

Cc1c(C(=O)O)ccc(N)c1OC(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
KMT2A Q03164 6/20 0.40
KDM4E B2RXH2 5/20 0.40
TDP1 Q9NUW8 5/20 0.40
MEN1 O00255 4/20 0.40
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39
GABRB2 P47870 1/20 0.39
GABRA4 P48169 1/20 0.39
GABRE P78334 1/20 0.39
GABRA6 Q16445 1/20 0.39
GABRG1 Q8N1C3 1/20 0.39
GABRG3 Q99928 1/20 0.39

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
SCHEMBL19608101 0.86 ALDH1A1 (0.51) ALDH1A1KMT2AKDM4ETDP1MEN1
SCHEMBL19583352 0.83 ALDH1A1 (0.49) ALDH1A1KMT2AKDM4ETDP1MEN1
SCHEMBL2081501 0.81 TDP1 (0.47) ALDH1A1KMT2AKDM4ETDP1MEN1
SCHEMBL27840740 0.78 ALDH1A1 (0.62) ALDH1A1KMT2AKDM4ETDP1HSD17B10
SCHEMBL27955903 0.76 ALDH1A1 (0.60) ALDH1A1KMT2AKDM4ETDP1HSD17B10
SCHEMBL7709910 0.76 PPARA (0.43) ALDH1A1KDM4EGABRPGABRDGABRA1
SCHEMBL22068718 0.75 KDM4E (0.42) ALDH1A1KMT2AKDM4ETDP1MEN1
SCHEMBL30340194 0.74 KDM4E (0.50) ALDH1A1KMT2AKDM4ETDP1MEN1
SCHEMBL93998 0.74 KDM4E (0.50) ALDH1A1KMT2AKDM4ETDP1MEN1
SCHEMBL23739275 0.74 ALDH1A1 (0.53) ALDH1A1KMT2AKDM4ETDP1HSD17B10

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-7709471-B2 Compounds ASTRAZENECA AB (SE) 2010-05-04 US disclosed
US-20080009482-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2008-01-10 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-20080009482-A1 NOVEL COMPOUNDS CYP11B2, CYP11B1, CYP46A1 ALDH1A1 422/4885KMT2A 4680/4885KDM4E 3977/4885

“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.