SCHEMBL13078468

SCHEMBL13078468

COc1ccc(-c2coc(C(C)=O)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.50
HSD11B1 P28845 1/20 0.46
ALDH1A1 P00352 4/20 0.45
BACE1 P56817 1/20 0.45
NPC1 O15118 3/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TP53 P04637 1/20 0.44
MAPK1 P28482 1/20 0.44
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
HPGD P15428 3/20 0.44
KDM4E B2RXH2 2/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
ESR2 Q92731 1/20 0.44
MAPT P10636 2/20 0.43
RECQL P46063 1/20 0.42

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
SCHEMBL3751126 0.87 NR4A2 (0.58) NR4A2ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL13044164 0.83 NR4A2 (0.47) NR4A2ALDH1A1BACE1NPC1RAB9A
SCHEMBL27629219 0.79 ALDH1A1 (0.39) ALDH1A1NPC1RAB9ASMN1; SMN2TP53
SCHEMBL6855408 0.78 ALDH1A1 (0.45) NR4A2ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL12808555 0.72 MAPT (0.61) ALDH1A1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL834695 0.72 MAPT (0.61) ALDH1A1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL2556436 0.71 NPC1 (0.46) NR4A2ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL3542072 0.70 PTGER4 (0.80) NR4A2NPC1RAB9ASMN1; SMN2TP53
SCHEMBL28924003 0.70 ALDH1A1 (0.52) ALDH1A1HPGDPOLBPTGER4MEN1
SCHEMBL29742870 0.70 ALDH1A1 (0.52) ALDH1A1HPGDPOLBPTGER4MEN1

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-7829571-B2 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2010-11-09 US disclosed
US-20090124668-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2009-05-14 US disclosed
US-7482335-B2 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2009-01-27 US disclosed
US-20070032526-A1 Cyclic derivatives as modulators of chemokine receptor activity CARTER PEROY H 2007-02-08 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-20070032526-A1 Cyclic derivatives as modulators of chemokine receptor activity CCL11, CCL2, CCR1 NR4A2 1110/4885HSD11B1 348/4885ALDH1A1 1402/4885
US-20090124668-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CCL11, CCL2, CCR1 NR4A2 1110/4885HSD11B1 348/4885ALDH1A1 1402/4885

“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.