SCHEMBL5363487

SCHEMBL5363487

CCCCCCC(C)C(=O)NCc1cc(-c2ccccc2)ccc1Nc1ccccc1C(=O)OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 3/20 0.39
GAA P10253 3/20 0.39
APAF1 O14727 1/20 0.39
RECQL P46063 1/20 0.39
CASP6 P55212 1/20 0.39
CACNA1B Q00975 1/20 0.39
APBA1 Q02410 1/20 0.39
MCL1 Q07820 1/20 0.39
CASP8 Q14790 1/20 0.39
MAPT P10636 1/20 0.39
ALOX15 P16050 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PTPN11 Q06124 3/20 0.38
ALOX12 P18054 1/20 0.38
KMT2A Q03164 1/20 0.38
PTPN2 P17706 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
SCHEMBL5360954 0.84 ALOX15 (0.42) TSHRKDM4EALDH1A1GAAMAPT
SCHEMBL6279162 0.82 ALDH1A1 (0.37) TSHRALDH1A1PTPN11
SCHEMBL6253331 0.81 KDM4E (0.43) TSHRKDM4EALDH1A1GAAALOX15
SCHEMBL5358344 0.79 PPARD (0.40) ALDH1A1MAPTKMT2A
SCHEMBL5363474 0.77 LTB4R2 (0.44) KDM4EALDH1A1APAF1RECQLCASP6
SCHEMBL5360875 0.76 PTPN11 (0.44) ALDH1A1RECQLPTPN11KMT2ATDP1
SCHEMBL6254015 0.75 TSHR (0.41) TSHRALDH1A1PTPN11PTPN2PTPN1
SCHEMBL5355836 0.74 KCNB1 (0.40) TSHRKDM4EALDH1A1GAAALOX15
SCHEMBL3438996 0.72 PPARG (0.48)
SCHEMBL5362814 0.71 KCNB1 (0.42) ALOX15SMN1; SMN2KMT2A

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 TSHR 2915/4885KDM4E 29/4885ALDH1A1 497/4885
US-20060009484-A1 Novel polycyclic compounds which modulate PPARgamma type receptors and cosmetic/pharmaceutical compositions comprised thereof PPARG, PPARD, PPARA TSHR 130/4885KDM4E 3683/4885ALDH1A1 1520/4885

“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.