SCHEMBL382135

SCHEMBL382135

CC(C)(C)c1cc(Br)ccc1N1CCCC1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.47
RARA P10276 1/20 0.46
RARB P10826 1/20 0.46
RARG P13631 1/20 0.46
RBP4 P02753 1/20 0.45
TP53 P04637 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 2/20 0.39
KDM4E B2RXH2 2/20 0.39
GAA P10253 1/20 0.39
SRD5A1 P18405 1/20 0.38
IDO1 P14902 1/20 0.37
AKR1C3 P42330 1/20 0.37
ALDH1A1 P00352 3/20 0.36
KCNQ2 O43526 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 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
SCHEMBL25307241 0.80 HSD17B10 (0.58) HSD17B10TP53MEN1KMT2ATSHR
SCHEMBL15709710 0.79 F10 (0.43) RBP4SRD5A1
SCHEMBL19937828 0.78 RBP4 (0.44) HSD17B10RARARARBRARGRBP4
SCHEMBL5880744 0.77 HSD17B10 (0.46) HSD17B10MEN1KMT2ATSHRHTT
SCHEMBL31695060 0.77 HSD17B10 (0.58) HSD17B10MEN1KMT2ATSHRGAA
SCHEMBL31642786 0.77 HSD17B10 (0.46) HSD17B10MEN1KMT2ATSHRHTT
SCHEMBL24719734 0.77 HSD17B10 (0.46) HSD17B10MEN1KMT2ATSHRHTT
SCHEMBL26926119 0.77 HSD17B10 (0.58) HSD17B10MEN1KMT2ATSHRGAA
SCHEMBL382856 0.74 RBP4 (0.58) RARARARBRARGRBP4MEN1
SCHEMBL382182 0.74 RARA (0.41) HSD17B10RARARARBRARGTP53

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8470871-B2 Ligands that modulate RAR receptors GALDERMA RESEARCH & DEVELOPMENT (FR) 2013-06-25 US disclosed
US-20120258996-A1 NOVEL LIGANDS THAT MODULATE RAR RECEPTORS GALDERMA RESEARCH & DEVELOPMENT (FR) 2012-10-11 US disclosed
US-8227507-B2 Ligands that modulate RAR receptors GALDERMA RESEARCH & DEVELOPMENT (FR) 2012-07-24 US disclosed
EP-1831149-B1 NOVEL LIGANDS THAT MODULATE RAR RECEPTORS AND USE THEREOF IN HUMAN MEDICINE AND IN COSMETICS GALDERMA RES & DEV (FR) 2012-01-25 EP disclosed
US-20100292296-A1 NOVEL LIGANDS THAT MODULATE RAR RECEPTORS GALDERMA RESEARCH & DEVELOPMENT (FR) 2010-11-18 US disclosed
US-7807708-B2 Ligands that modulate RAR receptors and pharmaceutical/cosmetic compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2010-10-05 US disclosed
US-20080015246-A1 Novel ligands that modulate RAR receptors and pharmaceutical/cosmetic compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2008-01-17 US disclosed
EP-1831149-A1 NOVEL LIGANDS THAT MODULATE RAR RECEPTORS AND USE THEREOF IN HUMAN MEDICINE AND IN COSMETICS GALDERMA RESEARCH & DEVELOPMENT (FR) 2007-09-12 EP disclosed
WO-2006066978-A1 NOVEL LIGANDS THAT MODULATE RAR RECEPTORS, AND USE THEREOF IN HUMAN MEDICINE AND IN COSMETICS GALDERMA RESEARCH & DEVELOPMENT (FR) 2006-06-29 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 (3 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-20080015246-A1 Novel ligands that modulate RAR receptors and pharmaceutical/cosmetic compositions comprised thereof RARB, RARA, RARG HSD17B10 875/4885RARA 2/4885RARB 1/4885
US-20120258996-A1 NOVEL LIGANDS THAT MODULATE RAR RECEPTORS RARB, RARA, RARG HSD17B10 1200/4885RARA 2/4885RARB 1/4885
US-20100292296-A1 NOVEL LIGANDS THAT MODULATE RAR RECEPTORS RARB, RARA, RARG HSD17B10 1200/4885RARA 2/4885RARB 1/4885

“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.