SCHEMBL4640550

SCHEMBL4640550

CCCCOc1cc(O)ccc1C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.46
NR5A1 Q13285 1/20 0.46
ALDH1A1 P00352 6/20 0.44
GAA P10253 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
NPC1 O15118 1/20 0.44
MAPT P10636 1/20 0.44
RAB9A P51151 1/20 0.44
LMNA P02545 3/20 0.43
HTT P42858 2/20 0.43
TYR P14679 2/20 0.43
NR1I2 O75469 1/20 0.43
CYP2C9 P11712 1/20 0.43
MIF P14174 1/20 0.43
ALOX15 P16050 1/20 0.43
NFE2L2 Q16236 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ESR1 P03372 3/20 0.41

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
SCHEMBL9698493 0.94 NR5A1 (0.51) LTA4HNR5A1ALDH1A1L3MBTL1HTT
SCHEMBL11680067 0.84 ALDH1A1 (0.47) LTA4HALDH1A1GAAL3MBTL1MEN1
SCHEMBL4640606 0.83 ALDH1A1 (0.43) ALDH1A1GAAL3MBTL1MEN1KMT2A
SCHEMBL4463750 0.82 ESR1 (0.45) LTA4HNR5A1ALDH1A1GAAL3MBTL1
SCHEMBL957234 0.81 LTA4H (0.43) LTA4HNR5A1ALDH1A1GAAL3MBTL1
SCHEMBL14850363 0.81 L3MBTL1 (0.61) ALDH1A1GAAL3MBTL1MEN1KMT2A
SCHEMBL224388 0.81 THRA (0.56) LTA4HNR5A1ALDH1A1GAALMNA
SCHEMBL9699752 0.81 THRA (0.56) LTA4HNR5A1ALDH1A1GAALMNA
SCHEMBL9698507 0.81 THRA (0.56) LTA4HNR5A1ALDH1A1GAALMNA
SCHEMBL19404700 0.80 KDM4E (0.47) ALDH1A1GAAL3MBTL1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1824837-B1 SUBSTITUTED N-SULFONYLAMINOBENZYL-2-PHENOXY ACETAMIDE COMPOUNDS PFIZER (US) 2008-08-13 EP disclosed
CN-101087771-A Substituted N-sulfonylaminobenzyl-2-phenoxyacetamide compounds PFIZER (US) 2007-12-12 CN disclosed
US-7214824-B2 Substituted N-sulfonylaminobenzyl-2-phenoxyacetamide compounds as VR1 receptor agonists PFIZER INC. (US) 2007-05-08 US disclosed
US-7214824-B2 Substituted N-sulfonylaminobenzyl-2-phenoxyacetamide compounds as VR1 receptor agonists PFIZER INC. (US) 2007-05-08 US disclosed
US-7214824-B2 Substituted N-sulfonylaminobenzyl-2-phenoxyacetamide compounds as VR1 receptor agonists PFIZER INC. (US) 2007-05-08 US disclosed
US-20060100460-A1 Substituted N-sulfonylaminobenzyl-2-phenoxyacetamide compounds as VR1 receptor agonists PFIZER, INC. 2006-05-11 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-20060100460-A1 Substituted N-sulfonylaminobenzyl-2-phenoxyacetamide compounds as VR1 receptor agonists CNR1, AVPR1A, OPRL1 LTA4H 978/4885NR5A1 916/4885ALDH1A1 987/4885

“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.