SCHEMBL5359674

SCHEMBL5359674

O=C(O)c1cccc(CCNc2ccc(-c3cccc(CNCC(=O)c4ccc5cc(O)ccc5c4)c3)cc2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 3/20 0.44
MEP1B Q16820 1/20 0.42
TOP2A P11388 1/20 0.42
TOP2B Q02880 1/20 0.42
HIF1A Q16665 1/20 0.40
FFAR1 O14842 2/20 0.39
FFAR4 Q5NUL3 1/20 0.39
FNTA P49354 2/20 0.39
FNTB P49356 2/20 0.39
PGGT1B P53609 2/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
NR1H4 Q96RI1 1/20 0.39
NR4A2 P43354 1/20 0.39
HDAC1 Q13547 2/20 0.38
SYK P43405 1/20 0.38
BCL2 P10415 1/20 0.37
ITGB1 P05556 1/20 0.37
ITGA4 P13612 1/20 0.37
ITGB7 P26010 1/20 0.37

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
SCHEMBL5359843 0.86 NR1H4 (0.45) MRGPRX4MEP1BTOP2ATOP2BHIF1A
SCHEMBL5400037 0.83 NR1H4 (0.40) MRGPRX4FFAR1NR1H4NR4A2
SCHEMBL5359671 0.81 HSD17B2 (0.56) TOP2ATOP2B
SCHEMBL5360998 0.79 HCAR2 (0.43) TOP2ATOP2BHDAC1
SCHEMBL5366369 0.75 TRPV1 (0.44) SYK
SCHEMBL6255535 0.73 HCAR2 (0.44) TOP2ATOP2BHDAC1ITGB1ITGA4
SCHEMBL5862921 0.71 CA1 (0.61) MEP1BFNTAFNTBPGGT1BCA1
SCHEMBL5358808 0.70 NR1H4 (0.45) HIF1ANR1H4NR4A2
SCHEMBL5354792 0.69 MRGPRX4 (0.41) MRGPRX4MEP1BCA1CA2NR1H4
SCHEMBL29079363 0.69 L3MBTL1 (0.51) HIF1AFFAR1FFAR4

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
US-7307078-B2 Polycyclic compounds which modulate PPARγ type receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2007-12-11 US claimed
US-7125869-B2 Polycyclic compounds which modulate PPARγ type receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2006-10-24 US claimed
US-20060009484-A1 Novel polycyclic compounds which modulate PPARgamma type receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2006-01-12 US claimed
US-7307078-B2 Polycyclic compounds which modulate PPARγ type receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2007-12-11 US disclosed
US-20070093487-A1 2-[3'-({[6-(2-Methoxyethoxymethoxy)naphthalene-2-carbonyl]methylamino}methyl)biphenyl-4-ylamino]methyl benzoate; dermatology, cardiovascular diseases, immune diseases and/or diseases associated with lipid metabolism, cosmetics GALDERMA RESEARCH & DEVELOPMENT (FR) 2007-04-26 US disclosed
US-7125869-B2 Polycyclic compounds which modulate PPARγ type receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2006-10-24 US disclosed
US-20060009484-A1 Novel polycyclic compounds which modulate PPARgamma type receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2006-01-12 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-20070093487-A1 2-[3'-({[6-(2-Methoxyethoxymethoxy)naphthalene-2-carbonyl]methylamino}methyl)biphenyl-4-ylamino]methyl benzoate; dermatology, cardiovascular diseases, immune diseases and/or diseases associated with lipid metabolism, cosmetics MITF, AHR, PAH MRGPRX4 902/4885MEP1B 1266/4885TOP2A 1428/4885
US-20060009484-A1 Novel polycyclic compounds which modulate PPARgamma type receptors and cosmetic/pharmaceutical compositions comprised thereof PPARG, PPARD, PPARA MRGPRX4 274/4885MEP1B 3474/4885TOP2A 3727/4885

“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.