SCHEMBL69067

SCHEMBL69067

CC(C)(C)N(Cc1cccc(-c2ccc(Br)cn2)c1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
LMNA P02545 4/20 0.42
ALDH1A1 P00352 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.40
HTT P42858 1/20 0.40
HPGDS O60760 2/20 0.39
TDP1 Q9NUW8 1/20 0.37
RIPK1 Q13546 1/20 0.37
WNT3A P56704 2/20 0.36
PTGES O14684 2/20 0.36
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
TSHR P16473 1/20 0.36
APOBEC3A P31941 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
AOC3 Q16853 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL1749307 0.85 MEN1 (0.42) MEN1KMT2ALMNAALDH1A1L3MBTL1
SCHEMBL66552 0.82 CYP4F2 (0.46) MEN1KMT2ALMNAALDH1A1L3MBTL1
SCHEMBL2696068 0.82 FFAR1 (0.48) MEN1KMT2ALMNAALDH1A1L3MBTL1
SCHEMBL67173 0.78 RIPK1 (0.56) MEN1KMT2ALMNAALDH1A1L3MBTL1
SCHEMBL16912781 0.77 CYP4F2 (0.43) MEN1KMT2ALMNAL3MBTL1HTT
SCHEMBL2952041 0.75 HSD17B1 (0.52) MEN1KMT2ALMNAALDH1A1L3MBTL1
SCHEMBL2099348 0.74 ALDH1A1 (0.41) MEN1KMT2ALMNAALDH1A1L3MBTL1
SCHEMBL3693496 0.74 HPGDS (0.50) KMT2ALMNAL3MBTL1HPGDSWNT3A
SCHEMBL15132640 0.74 FYN (0.52)
SCHEMBL2957633 0.74 HSD17B1 (0.51) MEN1KMT2ALMNAL3MBTL1HTT

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-20130303549-A1 NOVEL BIAROMATIC COMPOUNDS THAT MODULATE PPARY TYPE RECEPTORS AND COSMETIC/PHARMACEUTICAL COMPOSITIONS COMPRISED THEREOF GALDERMA RES & DEV (FR) 2013-11-14 US disclosed
US-8129416-B2 Biaromatic compounds that modulate PPARgamma type receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2012-03-06 US disclosed
EP-1814871-B1 COMPOUNDS THAT MODULATE PPARY TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RES & DEV (FR) 2011-03-02 EP disclosed
US-20080027077-A1 Novel biaromatic compounds that modulate PPARgamma type receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2008-01-31 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-20080027077-A1 Novel biaromatic compounds that modulate PPARgamma type receptors and cosmetic/pharmaceutical compositions comprised thereof PPARG, PPARD, PPARA MEN1 4774/4885KMT2A 3488/4885LMNA 3072/4885
US-20130303549-A1 NOVEL BIAROMATIC COMPOUNDS THAT MODULATE PPARY TYPE RECEPTORS AND COSMETIC/PHARMACEUTICAL COMPOSITIONS COMPRISED THEREOF PPARG, PPARD, PPARA MEN1 4710/4885KMT2A 3225/4885LMNA 3522/4885

“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.