SCHEMBL5048405

SCHEMBL5048405

CCNC(=O)c1ccc(C#CC(O)c2cc(SCc3ccc(C)cc3)c3c(c2)C(C)(C)CCC3(C)C)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.37
MEN1 O00255 5/20 0.37
LMNA P02545 5/20 0.37
HPGD P15428 3/20 0.37
MAPT P10636 3/20 0.37
ACACB O00763 2/20 0.36
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
POLB P06746 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
GLA P06280 1/20 0.36
HNF4A P41235 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KDM4E B2RXH2 2/20 0.33
CYP26A1 O43174 1/20 0.32
RARA P10276 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
SCHEMBL5049648 0.93 LMNA (0.36) KMT2AMEN1LMNAHPGDMAPT
SCHEMBL5043957 0.92 HDAC6 (0.37) KMT2AMEN1LMNAHPGDALDH1A1
SCHEMBL5047206 0.91 MAPT (0.35) KMT2AMEN1LMNAHPGDMAPT
SCHEMBL6411995 0.90 HPGD (0.33) KMT2AMEN1LMNAHPGDMAPT
SCHEMBL5050769 0.89 RARB (0.43) CYP3A4HNF4ACYP26A1RARARARB
SCHEMBL5043970 0.88 HNF4A (0.34) KMT2AMEN1LMNAMAPTALDH1A1
SCHEMBL5044050 0.87 ACACB (0.33) LMNAMAPTACACBALDH1A1SMN1; SMN2
SCHEMBL5050785 0.85 ACACB (0.37) LMNAHPGDMAPTACACBALDH1A1
SCHEMBL5047103 0.85 HDAC6 (0.41)
SCHEMBL5047191 0.84 LMNA (0.38) LMNAMAPTACACBALDH1A1CYP3A4

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 KMT2A 2493/4885MEN1 4744/4885LMNA 3890/4885

“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.