SCHEMBL5048445

SCHEMBL5048445

CC1(C)CCC(C)(C)c2c(OCc3ccc(F)cc3)cc(C(=O)/C=C/c3ccc(C(=O)O)cc3)cc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.52
RARA P10276 5/20 0.46
RARB P10826 4/20 0.46
RARG P13631 4/20 0.46
PTPN7 P35236 2/20 0.44
PTPN12 Q05209 2/20 0.44
PTPN22 Q9Y2R2 2/20 0.44
GSK3B P49841 1/20 0.43
BACE1 P56817 1/20 0.43
NR4A2 P43354 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.41
CYP26A1 O43174 1/20 0.41
TNFRSF1A P19438 2/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
AKR1C3 P42330 1/20 0.41
IKBKB O14920 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL5048446 1.00 MAOB (0.52) MAOBRARARARBRARGPTPN7
SCHEMBL5047257 0.91 MAOB (0.48) MAOBGSK3BBACE1TNFRSF1AMEN1
SCHEMBL5047251 0.91 MAOB (0.48) MAOBGSK3BBACE1TNFRSF1AMEN1
SCHEMBL5047177 0.89 MAOB (0.43) MAOBGSK3BBACE1AKR1C3MEN1
SCHEMBL5047173 0.89 MAOB (0.43) MAOBGSK3BBACE1AKR1C3MEN1
SCHEMBL5048367 0.84 SMN1; SMN2 (0.47) MAOBRARARARBRARGCYP26A1
SCHEMBL5048368 0.84 SMN1; SMN2 (0.47) MAOBRARARARBRARGCYP26A1
SCHEMBL5047093 0.83 RARA (0.48) MAOBRARARARBRARGCYP26A1
SCHEMBL5047091 0.83 RARA (0.48) MAOBRARARARBRARGCYP26A1
SCHEMBL5047126 0.82 RARB (0.48) MAOBRARARARBRARGCYP26A1

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 claimed
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 claimed
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

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 MAOB 2084/4885RARA 1/4885RARB 2/4885

“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.