SCHEMBL5050779

SCHEMBL5050779

CC1(C)CCC(C)(C)c2c(OCc3ccc(F)cc3)cc(C(O)C#Cc3ccc(C(N)=O)cc3)cc21

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 5/20 0.43
MAOB P27338 5/20 0.43
PARP1 P09874 1/20 0.36
ACACB O00763 2/20 0.36
CYP26A1 O43174 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP26B1 Q9NR63 1/20 0.35
RARA P10276 1/20 0.33
RARB P10826 1/20 0.33
RARG P13631 1/20 0.33
CRABP2 P29373 1/20 0.33
NR4A2 P43354 1/20 0.33
SIRT2 Q8IXJ6 1/20 0.33
SIRT1 Q96EB6 1/20 0.33
SIRT3 Q9NTG7 1/20 0.33
HNF4A P41235 1/20 0.33
SGMS2 Q8NHU3 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
SCHEMBL5049705 0.92 PARP10 (0.44) PARP10MAOBPARP1CYP26A1CYP3A4
SCHEMBL5047049 0.92 CYP26A1 (0.43) CYP26A1CYP3A4CYP26B1RARARARB
SCHEMBL5047118 0.90 SIRT2 (0.36) PARP10MAOBPARP1CYP26A1CYP3A4
SCHEMBL5047163 0.90 HDAC6 (0.41) ACACBCYP26A1CYP3A4CYP26B1
SCHEMBL5050793 0.89 BRD4 (0.37) ACACB
SCHEMBL5047052 0.89 KMT2A (0.38) MAOBACACBCYP26A1CYP3A4CYP26B1
SCHEMBL6412048 0.85 SIRT2 (0.38) SIRT2SIRT1SIRT3
SCHEMBL5047094 0.84 CYP26A1 (0.44) CYP26A1CYP3A4CYP26B1RARARARB
SCHEMBL5048423 0.84 MAOA (0.37) MAOBACACBCYP26A1CYP3A4CYP26B1
SCHEMBL5043989 0.83 RXRA (0.44) MAOBCYP26A1CYP3A4CYP26B1RARA

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 PARP10 1858/4885MAOB 2084/4885PARP1 4338/4885

“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.