SCHEMBL5048414

SCHEMBL5048414

CC(C)(C)c1ccc(COc2cc(C=O)cc3c2C(C)(C)CCC3(C)C)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.38
NR4A2 P43354 2/20 0.38
RAB9A P51151 2/20 0.38
NR4A1 P22736 1/20 0.38
NR4A3 Q92570 1/20 0.38
TACR2 P21452 1/20 0.38
ALDH1A1 P00352 3/20 0.37
RXRA P19793 2/20 0.37
RXRB P28702 2/20 0.37
RXRG P48443 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PDCD1 Q15116 1/20 0.37
CD274 Q9NZQ7 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.36
APP P05067 1/20 0.36
MAOA P21397 2/20 0.36
MAOB P27338 2/20 0.36
NPC1 O15118 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
EPHX2 P34913 1/20 0.34

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
SCHEMBL5044087 0.90 PTPN1 (0.41) TACR2ALDH1A1RXRARXRBRXRG
SCHEMBL5050784 0.87 MAOA (0.49) L3MBTL1RAB9ATACR2ALDH1A1SMN1; SMN2
SCHEMBL5047166 0.86 MAOB (0.48) L3MBTL1RAB9ATACR2ALDH1A1SMN1; SMN2
SCHEMBL8888740 0.76 APP (0.39) L3MBTL1NR4A2RAB9ANR4A1NR4A3
SCHEMBL1406577 0.76 RXRA (0.36) RXRARXRBRXRG
SCHEMBL5044048 0.75 NR4A2 (0.35) L3MBTL1NR4A2RAB9ANR4A1NR4A3
SCHEMBL3068905 0.74 FDPS (0.42) ALDH1A1SMN1; SMN2MAPTCYP1A2CYP2C9
SCHEMBL6917258 0.73 RXRA (0.46) L3MBTL1NR4A2RAB9ANR4A1NR4A3
SCHEMBL3062968 0.72 FDPS (0.38) L3MBTL1ALDH1A1RXRARXRBRXRG
SCHEMBL4946268 0.71 RXRA (0.47) L3MBTL1NR4A2RAB9ANR4A1NR4A3

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-7326803-B2 Ligand inhibitors of the RAR receptors, process for preparing same and therapeutic/cosmetic applications thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2008-02-05 US disclosed
US-20050148670-A1 Novel ligand inhibitors of the RAR receptors, process for preparing same and therapeutic/cosmetic applications thereof GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2005-07-07 US disclosed
EP-1513803-A1 LIGANDS THAT ARE INHIBITORS OF THE RAR RECEPTORS Galderma Research & Development, S.N.C. (FR) 2005-03-16 EP disclosed
WO-2003101945-A1 LIGANDS THAT ARE INHIBITORS OF THE RAR RECEPTORS GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2003-12-11 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 (1 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-20050148670-A1 Novel ligand inhibitors of the RAR receptors, process for preparing same and therapeutic/cosmetic applications thereof RARA, RARB, RARG L3MBTL1 4756/4885NR4A2 33/4885RAB9A 1437/4885

“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.