SCHEMBL5509990

SCHEMBL5509990

OCc1ccc(Cc2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 1/20 0.55
TAAR1 Q96RJ0 1/20 0.48
IDO1 P14902 4/20 0.47
LTA4H P09960 1/20 0.45
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
KIF11 P52732 2/20 0.43
IDH1 O75874 1/20 0.42
MAOB P27338 1/20 0.42
PSEN1 P49768 1/20 0.42
PSEN2 P49810 1/20 0.42
APH1B Q8WW43 1/20 0.42
NCSTN Q92542 1/20 0.42
APH1A Q96BI3 1/20 0.42
PSENEN Q9NZ42 1/20 0.42
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
ORAI1 Q96D31 1/20 0.41
ORAI2 Q96SN7 1/20 0.41
ORAI3 Q9BRQ5 1/20 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
SCHEMBL96239 0.93 TAAR1 (0.54) SRD5A2TAAR1IDO1KIF11MAOB
Hydrochloric Acid SCHEMBL30282379 0.91 IDO1 (0.54) SRD5A2TAAR1IDO1KIF11MAOB
Hydroxyamine SCHEMBL9048789 0.88 TAAR1 (0.56) TAAR1IDO1HDAC1HDAC8KIF11
SCHEMBL2096666 0.88 SRD5A2 (0.59) SRD5A2TAAR1IDO1LTA4HHDAC1
SCHEMBL1781036 0.86 KIF11 (0.58) TAAR1IDO1KIF11MAOBPSEN1
SCHEMBL15437156 0.86 TAAR1 (0.59) TAAR1IDO1HDAC1HDAC8MAOB
SCHEMBL28109891 0.84 TAAR1 (0.47) SRD5A2TAAR1IDO1KIF11MAOB
SCHEMBL10788365 0.83 TAAR1 (0.55) SRD5A2TAAR1IDO1LTA4HHDAC1
Phosphoric Acid SCHEMBL28852148 0.83 PTPN2 (0.47) SRD5A2TAAR1IDO1PSEN1PSEN2
SCHEMBL5651022 0.82 KIF11 (0.64) SRD5A2TAAR1IDO1LTA4HKIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE39916-E1 Compounds that modulate PPAR activity and methods for their preparation WARNER LAMBERT COMPANY (US) 2007-11-06 US disclosed
US-RE39916-E1 Compounds that modulate PPAR activity and methods for their preparation WARNER LAMBERT COMPANY (US) 2007-11-06 US 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 SRD5A2 3113/4885TAAR1 1426/4885IDO1 3753/4885
US-20050113440-A1 Compounds that modulate PPAR activity and methods for their preparation GPR119, PPARA, PPARG SRD5A2 3113/4885TAAR1 1426/4885IDO1 3753/4885
US-20050153996-A1 COMPOUNDS THAT MODULATE PPAR ACTIVITY AND METHODS FOR THEIR PREPARATION GPR119, PPARA, PPARG SRD5A2 3113/4885TAAR1 1426/4885IDO1 3753/4885

“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.