SCHEMBL5362603

SCHEMBL5362603

COCCOCOc1ccc2cc(C(=O)N(C)Cc3cccc(-c4ccc(Nc5cccc(C(=O)C6COCCN6)c5)cc4)c3)ccc2c1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 6/20 0.37
ADORA2A P29274 1/20 0.35
HSD17B1 P14061 4/20 0.34
LIMK2 P53671 1/20 0.34
PLG P00747 2/20 0.32
PLAU P00749 2/20 0.32
PLAT P00750 2/20 0.32
AOC3 Q16853 2/20 0.32
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
AXL P30530 1/20 0.32
MERTK Q12866 1/20 0.32
WDR5 P61964 1/20 0.32
NR1H4 Q96RI1 1/20 0.32
SIRT2 Q8IXJ6 1/20 0.32
BAX Q07812 1/20 0.32
MTOR P42345 1/20 0.32

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
SCHEMBL5358809 0.85 NR1H4 (0.45) HSD17B2ADORA2AHSD17B1LIMK2PLG
SCHEMBL5364169 0.84 AOC3 (0.48) HSD17B2AOC3ALDH1A1SMN1; SMN2
SCHEMBL5364429 0.82 CYP2C19 (0.43)
SCHEMBL5362664 0.82 HSD17B2 (0.42) HSD17B2ADORA2AHSD17B1LIMK2PLG
SCHEMBL5359916 0.81 HRH3 (0.42) HSD17B2ADORA2AAOC3ALDH1A1
SCHEMBL5356015 0.79 KDR (0.40) HSD17B2
SCHEMBL5355385 0.78 AOC3 (0.45) HSD17B2AOC3ALDH1A1SMN1; SMN2SIRT2
SCHEMBL5359865 0.77 HSD17B2 (0.52) HSD17B2HSD17B1AOC3BAX
SCHEMBL5440953 0.77 SIRT2 (0.46) HSD17B2ADORA2AHSD17B1LIMK2PLG
SCHEMBL5355365 0.77 HSD17B2 (0.43) HSD17B2HSD17B1LIMK2PLGPLAU

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
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 HSD17B2 579/4885ADORA2A 2405/4885HSD17B1 686/4885
US-20060009484-A1 Novel polycyclic compounds which modulate PPARgamma type receptors and cosmetic/pharmaceutical compositions comprised thereof PPARG, PPARD, PPARA HSD17B2 648/4885ADORA2A 473/4885HSD17B1 489/4885

“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.