SCHEMBL5049355

SCHEMBL5049355

Cc1ccc(-c2cc(C(=NO)c3ccc4c(C(=O)O)cccc4c3)cc(C(C)(C)C)c2OCC(C)C)cc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.38
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
XBP1 P17861 1/20 0.35
DHODH Q02127 2/20 0.35
IDO1 P14902 3/20 0.33
NR1H4 Q96RI1 2/20 0.32
NR1I2 O75469 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
MCL1 Q07820 2/20 0.32
BAD Q92934 2/20 0.32
PPARG P37231 3/20 0.32
MRGPRX4 Q96LA9 1/20 0.31
AKR1C3 P42330 1/20 0.31
AKR1C2 P52895 1/20 0.31

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
SCHEMBL5049354 1.00 PTPN1 (0.38) PTPN1POLBMAPTHPGDXBP1
SCHEMBL5046526 0.89 P2RY14 (0.41) PTPN1DHODHIDO1MRGPRX4
SCHEMBL5046531 0.89 P2RY14 (0.41) PTPN1DHODHIDO1MRGPRX4
SCHEMBL1406758 0.73 EGFR (0.40) POLBMAPTHPGDAKR1C3AKR1C2
SCHEMBL1406684 0.71 MAPT (0.47) POLBMAPTHPGDCYP3A4
SCHEMBL1406683 0.71 MAPT (0.47) POLBMAPTHPGDCYP3A4
SCHEMBL6419650 0.71 P2RY14 (0.41) PTPN1DHODH
SCHEMBL1406509 0.67 RARA (0.39) MAPTNR1H4CYP3A4AKR1C3AKR1C2
SCHEMBL1406943 0.65 XDH (0.36) NR1H4PPARGAKR1C3AKR1C2
SCHEMBL1406442 0.64 MAOB (0.45) PTPN1HPGDMRGPRX4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050131033-A1 Novel ligand inhibitors of the RAR receptors, process for preparing same and therapeutic/cosmetic applications thereof GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2005-06-16 US claimed
EP-1513793-A1 NOVEL LIGANDS THAT ARE INHIBITORS OF THE RAR RECEPTORS, PROCESS FOR PREPARING THEM AND USE THEREOF IN HUMAN MEDICINE AND IN COSMETICS Galderma Research & Development, S.N.C. (FR) 2005-03-16 EP claimed
WO-2003101928-A1 NOVEL LIGANDS THAT ARE INHIBITORS OF THE RAR RECEPTORS, PROCESS FOR PREPARING THEM AND USE THEREOF IN HUMAN MEDICINE AND IN COSMETICS GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2003-12-11 WO claimed
US-7468457-B2 Ligand inhibitors of the RAR receptors, process for preparing same and therapeutic/cosmetic applications thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2008-12-23 US disclosed
US-20050131033-A1 Novel ligand inhibitors of the RAR receptors, process for preparing same and therapeutic/cosmetic applications thereof GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2005-06-16 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 (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-20050131033-A1 Novel ligand inhibitors of the RAR receptors, process for preparing same and therapeutic/cosmetic applications thereof RARA, RARB, RARG PTPN1 712/4885POLB 2108/4885MAPT 4711/4885

“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.