SCHEMBL5048375

SCHEMBL5048375

CCN(C)C(=O)c1ccc(C#CC(O)c2cc(N(C)Cc3ccc(F)cc3)c3c(c2)C(C)(C)CCC3(C)C)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 2/20 0.41
MCHR1 Q99705 1/20 0.36
ACACB O00763 5/20 0.35
ALDH1A1 P00352 2/20 0.33
HTT P42858 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
LIMK2 P53671 2/20 0.33
KMT2A Q03164 1/20 0.33
PPARA Q07869 1/20 0.33
CYP3A4 P08684 2/20 0.32
CYP26A1 O43174 1/20 0.32
RARA P10276 1/20 0.32
RARB P10826 1/20 0.32
RARG P13631 1/20 0.32
CRABP2 P29373 1/20 0.32
NAMPT P43490 1/20 0.32
CYP1A2 P05177 1/20 0.32
GAA P10253 1/20 0.32
CYP2D6 P10635 1/20 0.32

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
SCHEMBL5047276 0.93 ACACB (0.36) NSD2ACACBALDH1A1HPGDLIMK2
SCHEMBL5044026 0.92 ACACB (0.35) NSD2ACACBALDH1A1KMT2ACYP3A4
SCHEMBL5048406 0.91 RARB (0.41) PPARACYP3A4CYP26A1RARARARB
SCHEMBL5047223 0.90 NSD2 (0.34) NSD2ALDH1A1HTTPPARACYP3A4
SCHEMBL5048419 0.89 ACACB (0.37) NSD2MCHR1ACACBPPARACYP3A4
SCHEMBL5044013 0.89 HDAC6 (0.40)
SCHEMBL5047098 0.85 NSD2 (0.36) NSD2MCHR1ACACBCYP3A4CYP26A1
SCHEMBL5047052 0.85 KMT2A (0.38) NSD2MCHR1ACACBALDH1A1HPGD
SCHEMBL5048377 0.85 NSD2 (0.38) NSD2ACACBCYP3A4NAMPTCYP1A2
SCHEMBL5048379 0.83 NSD2 (0.37) NSD2MCHR1ACACBRAB9ACYP3A4

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 NSD2 3554/4885MCHR1 204/4885ACACB 2255/4885

“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.