SCHEMBL5449158

SCHEMBL5449158

COC(=O)c1ccc2cc(CO[Si](C)(C)C(C)(C)C)ccc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.44
CYP19A1 P11511 1/20 0.42
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
LCK P06239 1/20 0.42
LOXL2 Q9Y4K0 1/20 0.41
ALOX15 P16050 2/20 0.41
HTT P42858 1/20 0.41
MRGPRX4 Q96LA9 2/20 0.41
TP53 P04637 2/20 0.40
POLB P06746 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
DHODH Q02127 1/20 0.39
CYP3A4 P08684 3/20 0.39
KCNH2 Q12809 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
SCHEMBL1313112 0.86 LOXL2 (0.51) LOXL2NPC1RAB9AMEN1MAPT
SCHEMBL5438495 0.86 MAPT (0.45) HTTTP53NPC1RAB9AMAPT
SCHEMBL31419128 0.84 HTT (0.48) CYP19A1CYP11B1CYP11B2ALOX15HTT
SCHEMBL8320447 0.84 LOXL2 (0.56) LOXL2MRGPRX4NPC1RAB9AMAPT
SCHEMBL11298531 0.82 SMN1; SMN2 (0.61) HTTPOLBNPC1RAB9AMEN1
SCHEMBL31419133 0.81 VCAM1 (0.36) PTPN11LCKALOX15HTTTP53
SCHEMBL1205615 0.81 KDM4E (0.44) TP53NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL23090473 0.80 CA1 (0.44) LOXL2MRGPRX4POLBCA1CA2
SCHEMBL31245947 0.80 CA12 (0.44) LOXL2POLBMEN1MAPTKMT2A
SCHEMBL16485169 0.80 PTPN11 (0.53) PTPN11CYP19A1CYP11B1CYP11B2LCK

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-20070135485-A1 Novel mch receptor antagonists ELI LILLY AND COMPANY 2007-06-14 US disclosed
US-20070135485-A1 Novel mch receptor antagonists ELI LILLY AND COMPANY 2007-06-14 US disclosed
EP-1723126-A2 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2006-11-22 EP disclosed
WO-2005040157-A2 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2005-05-06 WO 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-20070135485-A1 Novel mch receptor antagonists MCHR1, MCHR2, MC1R PTPN11 746/4885CYP19A1 2351/4885CYP11B1 1010/4885

“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.