SCHEMBL382157

SCHEMBL382157

CC(C)(C)c1cc(Br)ccc1NC(=O)CCCCl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.50
KDM4E B2RXH2 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
NPC1 O15118 1/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.44
HDAC3 O15379 4/20 0.43
HDAC1 Q13547 4/20 0.43
KMT2A Q03164 2/20 0.42
GAA P10253 1/20 0.42
ALDH1A1 P00352 2/20 0.42
USP2 O75604 1/20 0.41
ALPL P05186 1/20 0.41
ALOX15 P16050 1/20 0.41
ATM Q13315 1/20 0.41
HDAC4 P56524 3/20 0.41
HDAC7 Q8WUI4 3/20 0.41
HDAC2 Q92769 3/20 0.41
HDAC10 Q969S8 3/20 0.41
HDAC11 Q96DB2 3/20 0.41
HDAC8 Q9BY41 3/20 0.41

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
SCHEMBL6033054 0.85 POLB (0.53) POLBKDM4ETDP1PTGDR2KMT2A
SCHEMBL15709707 0.81 USP2 (0.44) POLBPTGDR2KMT2AALDH1A1USP2
SCHEMBL24719726 0.80 KDM4E (0.52) POLBKDM4ETDP1NPC1KMT2A
SCHEMBL382603 0.76 ALDH1A1 (0.55) POLBKDM4ETDP1NPC1PTGDR2
SCHEMBL16009246 0.76 PTGDR2 (0.49) POLBKDM4ENPC1PTGDR2KMT2A
SCHEMBL3984081 0.76 ALDH1A1 (0.48) POLBKDM4ETDP1NPC1KMT2A
SCHEMBL17289906 0.76 TSHR (0.49) POLBKDM4ETDP1NPC1HDAC3
SCHEMBL22864669 0.73 KMT2A (0.74) NPC1HDAC3HDAC1KMT2AGAA
SCHEMBL9595268 0.71 GAA (0.57) KDM4ETDP1HDAC3HDAC1KMT2A
SCHEMBL12445322 0.71 AAK1 (0.48) POLBNPC1PTGDR2USP2ALPL

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 POLB 3434/4885KDM4E 3699/4885TDP1 3612/4885
US-20120258996-A1 NOVEL LIGANDS THAT MODULATE RAR RECEPTORS RARB, RARA, RARG POLB 3275/4885KDM4E 3544/4885TDP1 3369/4885
US-20100292296-A1 NOVEL LIGANDS THAT MODULATE RAR RECEPTORS RARB, RARA, RARG POLB 3275/4885KDM4E 3544/4885TDP1 3369/4885

“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.