SCHEMBL5048383

SCHEMBL5048383

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

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACACB O00763 3/20 0.36
VNN1 O95497 2/20 0.36
MMP2 P08253 1/20 0.34
MMP13 P45452 1/20 0.34
EPHX2 P34913 4/20 0.34
ALOX5 P09917 2/20 0.34
LMNA P02545 2/20 0.34
SSTR3 P32745 1/20 0.34
PPARG P37231 1/20 0.34
CTNNB1 P35222 2/20 0.34
TCF7L2 Q9NQB0 2/20 0.34
HDAC1 Q13547 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HDAC6 Q9UBN7 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
SCHEMBL5050785 0.93 ACACB (0.37) ACACBVNN1LMNAHDAC1
SCHEMBL5048421 0.92 EPHX2 (0.40) ACACBEPHX2ALOX5LMNACTNNB1
SCHEMBL5047254 0.92 HDAC6 (0.41) VNN1SSTR3HDAC1HDAC6
SCHEMBL5047209 0.91 ALDH1A1 (0.37) ACACBHDAC1L3MBTL1HDAC6
SCHEMBL5047086 0.90 RARB (0.42) VNN1
SCHEMBL5047076 0.89 VNN1 (0.38) VNN1EPHX2ALOX5
SCHEMBL5048377 0.88 NSD2 (0.38) ACACBVNN1CTNNB1TCF7L2
SCHEMBL6411748 0.88 HDAC1 (0.37) ACACBHDAC1HDAC6
SCHEMBL5049648 0.85 LMNA (0.36) ACACBEPHX2ALOX5LMNAHDAC1
SCHEMBL5050793 0.85 BRD4 (0.37) ACACBEPHX2LMNAPPARGHDAC1

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 ACACB 2255/4885VNN1 3136/4885MMP2 3620/4885

“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.