SCHEMBL5047199

SCHEMBL5047199

CCNC(=O)c1ccc(C#CC(O)c2cc(OCc3ccc(N(C)C)cc3)c3c(c2)C(C)(C)CCC3(C)C)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 4/20 0.35
ACACB O00763 2/20 0.35
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 3/20 0.33
HPGD P15428 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
GAA P10253 2/20 0.33
MAPT P10636 2/20 0.33
LMNA P02545 1/20 0.33
MRGPRX4 Q96LA9 1/20 0.33
SIRT2 Q8IXJ6 1/20 0.33
SIRT1 Q96EB6 1/20 0.33
SIRT3 Q9NTG7 1/20 0.33
FLT3 P36888 1/20 0.33
KMT2A Q03164 1/20 0.33
NPC1 O15118 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL6416228 0.97 HDAC1 (0.36) BRD4ACACBKDM4EALDH1A1HPGD
SCHEMBL5044034 0.92 HDAC1 (0.39) KDM4EALDH1A1HPGDSMN1; SMN2GAA
SCHEMBL5047191 0.91 LMNA (0.38) BRD4ACACBALDH1A1MAPTLMNA
SCHEMBL5050793 0.91 BRD4 (0.37) BRD4ACACBHPGDMAPTLMNA
SCHEMBL5048393 0.89 CYP26B1 (0.33) ACACBKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL5047118 0.89 SIRT2 (0.36) KDM4EALDH1A1HPGDSMN1; SMN2GAA
SCHEMBL6412048 0.89 SIRT2 (0.38) KDM4EALDH1A1HPGDSMN1; SMN2GAA
SCHEMBL6412045 0.86 SIRT2 (0.36) KDM4EALDH1A1HPGDSMN1; SMN2GAA
SCHEMBL5047209 0.85 ALDH1A1 (0.37) ACACBKDM4EALDH1A1HPGDGAA
SCHEMBL5047239 0.85 ACACB (0.37) ACACBKDM4EALDH1A1MAPTHTT

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 6 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
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 BRD4 1941/4885ACACB 2255/4885KDM4E 3068/4885

“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.