SCHEMBL5737698

SCHEMBL5737698

CC/C(=C/c1ccc(OCc2ccccc2)nc1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.52
FFAR1 O14842 1/20 0.49
NR1H4 Q96RI1 1/20 0.44
LTB4R Q15722 1/20 0.44
LTB4R2 Q9NPC1 1/20 0.44
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CHRNB2 P17787 1/20 0.43
CHRNA7 P36544 1/20 0.43
CHRNA4 P43681 1/20 0.43
CXCR2 P25025 1/20 0.42
MEN1 O00255 1/20 0.41
PABPC1 P11940 1/20 0.41
KMT2A Q03164 1/20 0.41
ACACB O00763 2/20 0.41
ACACA Q13085 1/20 0.41
PKM P14618 1/20 0.41
KDM4E B2RXH2 2/20 0.41
NPC1 O15118 1/20 0.41
GAA P10253 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
SCHEMBL3978528 0.82 NR1H4 (0.64) TBXAS1NR1H4CYP3A4CYP2C9MEN1
SCHEMBL5737694 0.82 NR1H4 (0.51) FFAR1NR1H4CHRNB2CHRNA7CHRNA4
SCHEMBL5737702 0.82 NR1H4 (0.51) FFAR1NR1H4CHRNB2CHRNA7CHRNA4
SCHEMBL6816293 0.77 FFAR4 (0.56) TBXAS1FFAR1NR1H4LTB4RLTB4R2
SCHEMBL27664774 0.77 MEN1 (0.45) FFAR1NR1H4CHRNB2CHRNA7CHRNA4
SCHEMBL3550677 0.76 KDM4E (0.60) NR1H4LTB4RLTB4R2MEN1KMT2A
SCHEMBL3550674 0.76 KDM4E (0.60) NR1H4LTB4RLTB4R2MEN1KMT2A
SCHEMBL3095033 0.76 GSK3B (0.51) FFAR1ACACBACACAPKMKDM4E
SCHEMBL3095019 0.76 GSK3B (0.51) FFAR1ACACBACACAPKMKDM4E
SCHEMBL2301703 0.75 LTB4R (0.48) TBXAS1NR1H4LTB4RLTB4R2CYP3A4

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
EP-1615899-A1 ALPHA-SUBSTITUTED CARBOXYLIC ACIDS AS PPAR MODULATORS PFIZER INC. (US) 2006-01-18 EP disclosed
US-20050234066-A1 Alpha substituted carboxylic acids AGOURON PHARMACEUTICALS, INC. 2005-10-20 US disclosed
US-20050187266-A1 Alpha substituted carboxylic acids PFIZER INC 2005-08-25 US disclosed
WO-2004092145-A1 ALPHA SUBSTITUTED CARBOXYLIC ACID AS PPAR MODULATORS PFIZER INC. (US) 2004-10-28 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 (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-20050234066-A1 Alpha substituted carboxylic acids PPARG, PPARA, PPARD TBXAS1 653/4885FFAR1 5/4885NR1H4 70/4885
US-20050187266-A1 Alpha substituted carboxylic acids PPARG, PPARA, PPARD TBXAS1 653/4885FFAR1 5/4885NR1H4 70/4885

“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.