SCHEMBL19656336

SCHEMBL19656336

CC1CCC(C(=O)NCC(=O)NCC(=O)NCC(=O)OC(C)(C)C)CC1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
HSD17B10 Q99714 2/20 0.38
HRH3 Q9Y5N1 1/20 0.38
POLB P06746 2/20 0.36
TRPA1 O75762 1/20 0.35
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
KMT2A Q03164 1/20 0.33
HTT P42858 1/20 0.33
PABPC1 P11940 1/20 0.33
OPRM1 P35372 1/20 0.33

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
SCHEMBL24785386 0.88 SMN1; SMN2 (0.51) PSMB5SMN1; SMN2HSD17B10HRH3POLB
SCHEMBL18924053 0.87 PSMB5 (0.38) PSMB5SMN1; SMN2HSD17B10HRH3TRPA1
SCHEMBL21319666 0.87 SMN1; SMN2 (0.50) PSMB5SMN1; SMN2HSD17B10POLBALDH1A1
SCHEMBL25030508 0.80 TLR2 (0.41) PSMB5SMN1; SMN2HSD17B10POLBTRPA1
SCHEMBL25030100 0.80 TLR2 (0.41) PSMB5SMN1; SMN2HSD17B10POLBTRPA1
SCHEMBL22987466 0.78 PSMB5 (0.44) PSMB5SMN1; SMN2HSD17B10POLBALDH1A1
SCHEMBL14654910 0.73 SMN1; SMN2 (0.55) SMN1; SMN2HSD17B10POLBTRPA1ALDH1A1
SCHEMBL15200319 0.73 SMN1; SMN2 (0.55) SMN1; SMN2HSD17B10POLBTRPA1ALDH1A1
SCHEMBL17133510 0.73 SMN1; SMN2 (0.55) SMN1; SMN2HSD17B10POLBTRPA1ALDH1A1
SCHEMBL21320375 0.72 RECQL (0.39) HRH3KMT2A

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-10238751-B2 Cytotoxic benzodiazepine derivatives IMMUNOGEN, INC. (US) 2019-03-26 US disclosed
US-20170340748-A1 CYTOTOXIC BENZODIAZEPINE DERIVATIVES IMMUNOGEN, INC. 2017-11-30 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-10238751-B2 Cytotoxic benzodiazepine derivatives GABRA6, GABBR1, GABRA5 PSMB5 1114/4885SMN1; SMN2 2324/4885HSD17B10 1340/4885
US-20170340748-A1 CYTOTOXIC BENZODIAZEPINE DERIVATIVES GABRA6, GABBR1, GABRA5 PSMB5 1114/4885SMN1; SMN2 2324/4885HSD17B10 1340/4885

“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.