SCHEMBL4885490

SCHEMBL4885490

NC(C(=O)c1ccccc1)c1cc(OCCCOc2cccc(-c3ccccc3)c2)ccc1CCC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 7/20 0.49
FFAR4 Q5NUL3 6/20 0.49
HDAC1 Q13547 2/20 0.43
HDAC2 Q92769 2/20 0.43
PPARG P37231 2/20 0.42
PPARD Q03181 2/20 0.42
PTGER4 P35408 3/20 0.42
PTGER3 P43115 3/20 0.42
LTB4R Q15722 1/20 0.42
LTB4R2 Q9NPC1 1/20 0.42
AKR1B1 P15121 1/20 0.42
PTGER1 P34995 2/20 0.41
PTGER2 P43116 2/20 0.41
MRGPRX4 Q96LA9 1/20 0.41
P2RY10 O00398 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40

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
SCHEMBL4894775 0.98 FFAR4 (0.49) FFAR1FFAR4HDAC1HDAC2PTGER4
SCHEMBL4888269 0.94 FFAR1 (0.46) FFAR1FFAR4HDAC1HDAC2PPARG
SCHEMBL4896557 0.92 FFAR1 (0.46) FFAR1FFAR4HDAC1HDAC2PPARG
SCHEMBL4888362 0.90 FFAR1 (0.46) FFAR1FFAR4PPARGPPARDPPARA
SCHEMBL4898431 0.88 FFAR1 (0.46) FFAR1FFAR4HDAC1HDAC2PPARG
SCHEMBL4893176 0.86 FFAR1 (0.44) FFAR1FFAR4PPARGPPARDPPARA
SCHEMBL4896575 0.82 POLB (0.46) FFAR1PPARGPPARDPPARA
SCHEMBL4895448 0.81 ALDH2 (0.49)
SCHEMBL4895044 0.80 ALDH2 (0.46) PPARGPPARDHDAC6PPARA
SCHEMBL4885499 0.76 FFAR4 (0.50) FFAR1FFAR4HDAC1HDAC2PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080167310-A1 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS (PPAR) GOSSETT LYNN STACY 2008-07-10 US disclosed
US-7282501-B2 Modulators of peroxisome proliferator activated receptors (PPAR) ELI LILLY AND COMPANY (US) 2007-10-16 US disclosed
US-20050075378-A1 Modulators of peroxisome proliferator activated receptors (ppar) ELI LILLY AND COMPANY 2005-04-07 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-20050075378-A1 Modulators of peroxisome proliferator activated receptors (ppar) PPARG, PPARA, PPARD FFAR1 10/4885FFAR4 16/4885HDAC1 604/4885
US-20080167310-A1 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS (PPAR) PPARG, PPARA, PPARD FFAR1 10/4885FFAR4 16/4885HDAC1 604/4885

“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.