SCHEMBL5047209

SCHEMBL5047209

CCNC(=O)c1ccc(C#CC(O)c2cc(NCc3ccc(N(C)C)cc3)c3c(c2)C(C)(C)CCC3(C)C)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 1/20 0.37
HTT P42858 1/20 0.37
MAPT P10636 4/20 0.36
ACACB O00763 2/20 0.35
ROCK2 O75116 1/20 0.35
ROCK1 Q13464 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
CA2 P00918 1/20 0.35
CTSL P07711 1/20 0.35
CTSB P07858 1/20 0.35
CTSS P25774 1/20 0.35
HDAC4 P56524 2/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 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
SCHEMBL6411748 0.97 HDAC1 (0.37) ALDH1A1KDM4EHTTMAPTACACB
SCHEMBL5047246 0.92 ESRRG (0.36) ALDH1A1KDM4EHTTMAPTACACB
SCHEMBL5047219 0.92 HDAC6 (0.40) ALDH1A1KDM4EHTTHDAC4HDAC3
SCHEMBL5050785 0.91 ACACB (0.37) ALDH1A1KDM4EHTTMAPTACACB
SCHEMBL5048383 0.91 ACACB (0.36) ACACBHDAC1HDAC6L3MBTL1
SCHEMBL5048388 0.90 RARB (0.41)
SCHEMBL5047211 0.90 ACACB (0.34) ALDH1A1MAPTACACBNAMPTNPC1
SCHEMBL5047238 0.90 VNN1 (0.36) ALDH1A1KDM4EHTTMAPTACACB
SCHEMBL5047239 0.86 ACACB (0.37) ALDH1A1KDM4EHTTMAPTACACB
SCHEMBL5047206 0.85 MAPT (0.35) ALDH1A1KDM4EHTTMAPTACACB

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 ALDH1A1 113/4885KDM4E 3068/4885HTT 4630/4885

“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.