SCHEMBL5359865

SCHEMBL5359865

COCCOCOc1ccc2cc(C(=O)N(C)Cc3cccc(-c4ccc(Br)cc4)c3)ccc2c1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 6/20 0.52
HSD17B1 P14061 4/20 0.47
POLB P06746 1/20 0.42
HPGD P15428 1/20 0.42
RECQL P46063 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ABHD6 Q9BV23 2/20 0.42
AOC3 Q16853 5/20 0.41
HTT P42858 1/20 0.41
BAX Q07812 1/20 0.41
SLC2A1 P11166 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
SCHEMBL5354796 0.87 HSD17B2 (0.46) HSD17B2HSD17B1MEN1KMT2AAOC3
SCHEMBL5358809 0.85 NR1H4 (0.45) HSD17B2HSD17B1MEN1KMT2AAOC3
SCHEMBL5399381 0.85 PPARA (0.47) HSD17B2HSD17B1
SCHEMBL5386585 0.85 PPARA (0.47) HSD17B2HSD17B1
SCHEMBL5355365 0.84 HSD17B2 (0.43) HSD17B2HSD17B1POLBHPGDRECQL
SCHEMBL5360569 0.84 SIRT2 (0.44) HSD17B2HSD17B1ABHD6AOC3
SCHEMBL5440953 0.84 SIRT2 (0.46) HSD17B2HSD17B1MEN1KMT2AABHD6
SCHEMBL1130514 0.83 FFAR1 (0.51) HSD17B2
SCHEMBL5569835 0.83 HSD17B2 (0.43) HSD17B2HSD17B1MEN1KMT2ABAX
SCHEMBL5362664 0.83 HSD17B2 (0.42) HSD17B2HSD17B1MEN1KMT2AAOC3

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 6 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
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 579/4885HSD17B1 686/4885POLB 982/4885
US-20060009484-A1 Novel polycyclic compounds which modulate PPARgamma type receptors and cosmetic/pharmaceutical compositions comprised thereof PPARG, PPARD, PPARA HSD17B2 648/4885HSD17B1 489/4885POLB 1230/4885

“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.