SCHEMBL5047173

SCHEMBL5047173

CC1(C)CCC(C)(C)c2c(OCc3ccc(F)cc3)cc(C(=O)/C=C/c3ccc(C(=O)O)c(O)c3)cc21

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.43
APP P05067 1/20 0.41
CTSL P07711 2/20 0.41
CXCL12 P48061 1/20 0.41
AKR1C3 P42330 3/20 0.40
CYSLTR2 Q9NS75 1/20 0.40
CYSLTR1 Q9Y271 1/20 0.40
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
LMNA P02545 3/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
EGFR P00533 1/20 0.39
CSK P41240 1/20 0.39
MAOA P21397 1/20 0.38
THRB P10828 1/20 0.38
GSK3B P49841 1/20 0.38
BACE1 P56817 1/20 0.38

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
SCHEMBL5047177 1.00 MAOB (0.43) MAOBAPPCTSLCXCL12AKR1C3
SCHEMBL5047066 0.92 AKR1C3 (0.42) MAOBAPPCXCL12AKR1C3CYSLTR2
SCHEMBL5047063 0.92 AKR1C3 (0.42) MAOBAPPCXCL12AKR1C3CYSLTR2
SCHEMBL5050765 0.90 MAOB (0.43) MAOBAPPMAOA
SCHEMBL5050762 0.90 MAOB (0.43) MAOBAPPMAOA
SCHEMBL5048445 0.89 MAOB (0.52) MAOBAKR1C3MEN1KMT2AGSK3B
SCHEMBL5048446 0.89 MAOB (0.52) MAOBAKR1C3MEN1KMT2AGSK3B
SCHEMBL6356704 0.84 MAOB (0.34) MAOBAPPCTSLCXCL12AKR1C3
SCHEMBL5047079 0.84 RARA (0.38) MAOBCTSLCXCL12ALDH1A1KDM4E
SCHEMBL5047081 0.84 RARA (0.38) MAOBCTSLCXCL12ALDH1A1KDM4E

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 2084/4885APP 4398/4885CTSL 2798/4885

“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.