SCHEMBL11298531

SCHEMBL11298531

COC(=O)c1ccc(COc2ccc(CO[Si](C)(C)C(C)(C)C)cc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.61
NPC1 O15118 4/20 0.61
RAB9A P51151 4/20 0.61
MAPT P10636 3/20 0.61
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
LMNA P02545 1/20 0.55
FFAR1 O14842 1/20 0.51
HTT P42858 2/20 0.50
CYP3A4 P08684 1/20 0.49
KCNH2 Q12809 1/20 0.49
RXRA P19793 2/20 0.49
RXRB P28702 2/20 0.49
NR4A2 P43354 1/20 0.49
ALDH1A1 P00352 1/20 0.49
POLB P06746 1/20 0.49
AR P10275 1/20 0.48
NR1H4 Q96RI1 1/20 0.47

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 0.92 LOXL2 (0.51) SMN1; SMN2NPC1RAB9AMAPTMEN1
SCHEMBL11350421 0.84 RAB9A (0.82) SMN1; SMN2NPC1RAB9AMAPTMEN1
SCHEMBL10236929 0.84 RAB9A (0.82) SMN1; SMN2NPC1RAB9AMAPTMEN1
SCHEMBL19717306 0.82 MAPT (0.69) SMN1; SMN2NPC1RAB9AMAPTMEN1
SCHEMBL16610054 0.82 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9AMAPTMEN1
SCHEMBL5449158 0.82 PTPN11 (0.44) SMN1; SMN2NPC1RAB9AMAPTMEN1
SCHEMBL1628037 0.81 MAPT (0.62) SMN1; SMN2NPC1RAB9AMAPTMEN1
SCHEMBL9124514 0.81 PTGS2 (0.45) SMN1; SMN2NPC1RAB9AMAPTMEN1
SCHEMBL13439695 0.81 NR4A2 (0.74) SMN1; SMN2NPC1RAB9AMAPTMEN1
SCHEMBL13673420 0.81 RAB9A (0.68) SMN1; SMN2NPC1RAB9AMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2665744-B1 MACROCYCLIC COMPOUNDS WITH A HYBRID PEPTIDIC/NON-PEPTIDIC BACKBONE AND METHODS FOR THEIR PREPARATION UNIV ROCHESTER (US) 2015-04-08 EP disclosed
US-8986953-B2 Macrocyclic compounds with a hybrid peptidic/non-peptidic backbone and methods for their preparation UNIVERSITY OF ROCHESTER (US) 2015-03-24 US disclosed
US-20130330773-A1 MACROCYCLIC COMPOUNDS WITH A HYBRID PEPTIDIC/NON-PEPTIDIC BACKBONE AND METHODS FOR THEIR PREPARATION NATIONAL SCIENCE FOUNDATION 2013-12-12 US disclosed
EP-2665744-A2 MACROCYCLIC COMPOUNDS WITH A HYBRID PEPTIDIC/NON-PEPTIDIC BACKBONE AND METHODS FOR THEIR PREPARATION UNIVERSITY OF ROCHESTER (US) 2013-11-27 EP disclosed
WO-2012100176-A2 MACROCYCLIC COMPOUNDS WITH A HYBRID PEPTIDIC/NON-PEPTIDIC BACKBONE AND METHODS FOR THEIR PREPARATION UNIVERSITY OF ROCHESTER (US) 2012-07-26 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-20130330773-A1 MACROCYCLIC COMPOUNDS WITH A HYBRID PEPTIDIC/NON-PEPTIDIC BACKBONE AND METHODS FOR THEIR PREPARATION MICA, VIP, NPEPPS SMN1; SMN2 3226/4885NPC1 954/4885RAB9A 3993/4885

“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.