SCHEMBL5510461

SCHEMBL5510461

C=CC=Cc1ccccc1OC

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 5/20 0.60
TRPA1 O75762 1/20 0.60
TFEB P19484 1/20 0.56
CYP1A1 P04798 3/20 0.55
CYP1A2 P05177 3/20 0.55
CYP1B1 Q16678 3/20 0.55
KDM4E B2RXH2 3/20 0.55
CYP19A1 P11511 1/20 0.53
ALDH1A1 P00352 2/20 0.53
MEN1 O00255 1/20 0.53
CYP3A4 P08684 1/20 0.53
KMT2A Q03164 1/20 0.53
BCHE P06276 2/20 0.50
NPC1 O15118 2/20 0.50
MAPT P10636 2/20 0.50
RAB9A P51151 2/20 0.50
LMNA P02545 1/20 0.50
ACHE P22303 1/20 0.49
ALOX5 P09917 1/20 0.49
PTGS1 P23219 1/20 0.49

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
SCHEMBL5510457 1.00 NFE2L2 (0.60) NFE2L2TRPA1TFEBCYP1A1CYP1A2
SCHEMBL25555199 0.86 NFE2L2 (0.46) NFE2L2TRPA1TFEBCYP1A1CYP1A2
SCHEMBL27702145 0.85 NFE2L2 (0.60) NFE2L2CYP1A1CYP1A2CYP1B1KDM4E
SCHEMBL1603719 0.84 NFE2L2 (0.79) NFE2L2TRPA1TFEBCYP1A1CYP1A2
SCHEMBL4019329 0.84 NFE2L2 (0.79) NFE2L2TRPA1TFEBCYP1A1CYP1A2
SCHEMBL7915752 0.84 NFE2L2 (0.79) NFE2L2TRPA1TFEBCYP1A1CYP1A2
SCHEMBL12073449 0.83 NFE2L2 (0.50) NFE2L2TRPA1TFEBCYP1A1CYP1A2
SCHEMBL18995552 0.83 NFE2L2 (0.43) NFE2L2TRPA1TFEBCYP1A1CYP1A2
SCHEMBL16406513 0.82 NFE2L2 (0.58) NFE2L2TRPA1TFEBCYP1A1CYP1A2
SCHEMBL2095404 0.81 NFE2L2 (0.62) NFE2L2TRPA1TFEBCYP1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116640111-A Synthesis method of seven-membered cyclic ether compound 苏州大学 2023-08-25 CN disclosed
US-RE39916-E1 Compounds that modulate PPAR activity and methods for their preparation WARNER LAMBERT COMPANY (US) 2007-11-06 US disclosed
US-6964983-B2 Compounds that modulate PPAR activity and methods for their preparation WARNER-LAMBERT COMPANY, LLC (US) 2005-11-15 US disclosed
US-6939875-B2 Carbocyclic oxy sulfides such as [4-(Biphenyl-4-ylmethylsulfanyl)-5-methoxy-2-methyl-phenoxy]-acetic acid, used to control peroxisome proliferator activated receptors (PPAR), for prophylaxis of metabolic disorders WARNER-LAMBERT COMPANY (US) 2005-09-06 US disclosed
US-20050153996-A1 COMPOUNDS THAT MODULATE PPAR ACTIVITY AND METHODS FOR THEIR PREPARATION AUERBACH BRUCE J (US) 2005-07-14 US disclosed
US-20050113440-A1 Compounds that modulate PPAR activity and methods for their preparation AUERBACH BRUCE J (US) 2005-05-26 US disclosed
US-20030225158-A1 Compounds that modulate PPAR activity and methods for their preparation WARNER-LAMBERT COMPANY 2003-12-04 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 (3 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-20030225158-A1 Compounds that modulate PPAR activity and methods for their preparation GPR119, PPARA, PPARG NFE2L2 1771/4885TRPA1 1098/4885TFEB 124/4885
US-20050113440-A1 Compounds that modulate PPAR activity and methods for their preparation GPR119, PPARA, PPARG NFE2L2 1771/4885TRPA1 1098/4885TFEB 124/4885
US-20050153996-A1 COMPOUNDS THAT MODULATE PPAR ACTIVITY AND METHODS FOR THEIR PREPARATION GPR119, PPARA, PPARG NFE2L2 1771/4885TRPA1 1098/4885TFEB 124/4885

“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.