SCHEMBL5360945

SCHEMBL5360945

COCCOCOc1ccc2cc(C(=O)N(C)Cc3cccc(-c4ccc(Nc5ccccc5C(=O)NCc5cc(F)ccc5F)cc4)c3)ccc2c1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 3/20 0.37
SIRT2 Q8IXJ6 3/20 0.36
KMT2A Q03164 1/20 0.35
PPARG P37231 1/20 0.35
LIMK2 P53671 1/20 0.34
TSHR P16473 1/20 0.34
WDR5 P61964 1/20 0.34
HSD17B1 P14061 1/20 0.33
HCRTR2 O43614 1/20 0.33
KLKB1 P03952 1/20 0.33
HTR2C P28335 1/20 0.33
MCHR1 Q99705 1/20 0.33
GYS1 P13807 1/20 0.33

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
SCHEMBL5360569 0.86 SIRT2 (0.44) HSD17B2SIRT2LIMK2HSD17B1MCHR1
SCHEMBL5440953 0.86 SIRT2 (0.46) HSD17B2SIRT2KMT2ALIMK2HSD17B1
SCHEMBL5355365 0.86 HSD17B2 (0.43) HSD17B2SIRT2LIMK2HSD17B1
SCHEMBL5355385 0.80 AOC3 (0.45) HSD17B2SIRT2KMT2ATSHR
SCHEMBL5374247 0.80 SMO (0.42) HSD17B2SIRT2
SCHEMBL5365912 0.79 HSD17B2 (0.44) HSD17B2KMT2ALIMK2HSD17B1
SCHEMBL6268147 0.78 MEN1 (0.44) HSD17B2SIRT2KMT2ATSHRWDR5
SCHEMBL5358809 0.78 NR1H4 (0.45) HSD17B2SIRT2KMT2ALIMK2HSD17B1
SCHEMBL5359865 0.77 HSD17B2 (0.52) HSD17B2KMT2AHSD17B1
SCHEMBL5362664 0.75 HSD17B2 (0.42) HSD17B2KMT2ALIMK2HSD17B1

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 11 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
EP-1572629-A1 COMPOUNDS WHICH MODULATE PPARϝ TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS Galderma Research & Development, S.N.C. (FR) 2005-09-14 EP claimed
WO-2004052840-A1 COMPOUNDS WHICH MODULATE PPARϜ TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2004-06-24 WO 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
EP-1572629-A1 COMPOUNDS WHICH MODULATE PPARϝ TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS Galderma Research & Development, S.N.C. (FR) 2005-09-14 EP disclosed
WO-2004052840-A1 COMPOUNDS WHICH MODULATE PPARϜ TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2004-06-24 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-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 579/4885SIRT2 452/4885KMT2A 42/4885
US-20060009484-A1 Novel polycyclic compounds which modulate PPARgamma type receptors and cosmetic/pharmaceutical compositions comprised thereof PPARG, PPARD, PPARA HSD17B2 648/4885SIRT2 751/4885KMT2A 2317/4885

“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.