SCHEMBL21099008

SCHEMBL21099008

CCC(C)(C)c1ccc(COC(=O)c2cc(OC)cc(OC)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.45
POLB P06746 1/20 0.45
CYP2C9 P11712 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 5/20 0.43
ALDH1A1 P00352 4/20 0.43
TSHR P16473 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HTT P42858 1/20 0.43
MEN1 O00255 2/20 0.42
MAPT P10636 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
PKM P14618 1/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL21098985 0.88 NPC1 (0.51) NPC1RAB9AKMT2AALDH1A1TSHR
SCHEMBL28209670 0.79 KMT2A (0.64) NPC1RAB9AKMT2AALDH1A1TSHR
SCHEMBL20408443 0.75 ALDH1A1 (0.55) NPC1POLBCYP2C9RAB9AKMT2A
SCHEMBL28397233 0.74 KMT2A (0.48) NPC1POLBRAB9AKMT2AALDH1A1
SCHEMBL16689961 0.72 KMT2A (0.67) NPC1POLBRAB9AKMT2AALDH1A1
SCHEMBL20679874 0.72 NPC1 (0.55) NPC1RAB9AKMT2AALDH1A1MEN1
SCHEMBL3258075 0.71 MEN1 (0.64) NPC1POLBKMT2AALDH1A1HTT
SCHEMBL14421372 0.71 LMNA (0.55) NPC1POLBCYP2C9RAB9AKMT2A
SCHEMBL2612550 0.71 SMN1; SMN2 (0.48) POLBKMT2AALDH1A1TSHRNPSR1
SCHEMBL16689955 0.71 SMPD1 (0.59) NPC1POLBRAB9AKMT2AALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10323121-B2 Poly-β-peptides from functionalized β-lactam monomers and antibacterial compositions containing same WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2019-06-18 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-10323121-B2 Poly-β-peptides from functionalized β-lactam monomers and antibacterial compositions containing same TMSB10, TMSB4X, PTMA NPC1 4188/4885POLB 1087/4885CYP2C9 4372/4885

“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.