SCHEMBL382182

SCHEMBL382182

CC(C)(C)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1N1CCCC1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 1/20 0.41
RARB P10826 1/20 0.41
RARG P13631 1/20 0.41
KDM4E B2RXH2 3/20 0.37
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HSD17B10 Q99714 1/20 0.36
IDO1 P14902 1/20 0.36
TDO2 P48775 1/20 0.36
TP53 P04637 1/20 0.35
HTT P42858 2/20 0.34
GAA P10253 1/20 0.33
CYP2C9 P11712 2/20 0.33
CYP3A4 P08684 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32
AKR1C3 P42330 1/20 0.32

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
SCHEMBL12070443 0.84 HSD17B10 (0.45) KDM4EKMT2AALDH1A1HSD17B10IDO1
SCHEMBL30526888 0.84 HSD17B10 (0.45) KDM4EKMT2AALDH1A1HSD17B10IDO1
SCHEMBL13468747 0.84 F10 (0.36) IDO1TDO2PRMT5WDR77LPL
SCHEMBL2698448 0.83 ROCK1 (0.42) KDM4EKMT2AALDH1A1HSD17B10IDO1
SCHEMBL30124852 0.83 ROCK1 (0.42) KDM4EKMT2AALDH1A1HSD17B10IDO1
SCHEMBL24719725 0.83 HSD17B10 (0.38) KDM4EKMT2AALDH1A1HSD17B10IDO1
SCHEMBL25041086 0.80 LPL (0.36) RARARARBRARGIDO1TDO2
SCHEMBL13468656 0.79 LPL (0.36) RARARARBRARGKMT2AALDH1A1
SCHEMBL794275 0.77 ALDH1A1 (0.49) KDM4EKMT2AALDH1A1AKR1C3LPL
SCHEMBL1636075 0.75 ALDH1A1 (0.50) KDM4EKMT2AALDH1A1HSD17B10GAA

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 RARA 2/4885RARB 1/4885RARG 3/4885
US-20120258996-A1 NOVEL LIGANDS THAT MODULATE RAR RECEPTORS RARB, RARA, RARG RARA 2/4885RARB 1/4885RARG 3/4885
US-20100292296-A1 NOVEL LIGANDS THAT MODULATE RAR RECEPTORS RARB, RARA, RARG RARA 2/4885RARB 1/4885RARG 3/4885

“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.