SCHEMBL5048423

SCHEMBL5048423

CC1(C)CCC(C)(C)c2c(OCc3ccc(F)cc3)cc(C(O)C#Cc3ccc(C(=O)O)c(O)c3)cc21

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
RXRA P19793 3/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
RARA P10276 1/20 0.34
RARB P10826 1/20 0.34
RXRB P28702 2/20 0.34
RXRG P48443 2/20 0.34
CYP26A1 O43174 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP26B1 Q9NR63 1/20 0.34
PTGER1 P34995 3/20 0.33
ACACB O00763 1/20 0.33
HPD P32754 1/20 0.33
CYP2C9 P11712 1/20 0.33
PPARA Q07869 2/20 0.33
HNF4A P41235 1/20 0.32
EGLN1 Q9GZT9 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
SCHEMBL5050716 0.93 CYP26A1 (0.34) RXRARARARARBCYP26A1CYP3A4
SCHEMBL5047185 0.91 RXRA (0.35) MAOAMAOBRXRARARARARB
SCHEMBL5047049 0.88 CYP26A1 (0.43) RXRAKMT2ARARARARBRXRB
SCHEMBL5050779 0.84 PARP10 (0.43) MAOBRARARARBCYP26A1CYP3A4
SCHEMBL6356704 0.84 MAOB (0.34) MAOBRAB9AKMT2A
SCHEMBL5044028 0.84 RARB (0.36) RXRARARARARBRXRBRXRG
SCHEMBL5047050 0.84 RXRA (0.34) RXRARARARARBRXRBRXRG
SCHEMBL3062988 0.84 RXRA (0.36) RXRARARARARBCYP26A1CYP3A4
SCHEMBL5043990 0.83 RXRA (0.35) RXRARARARARBRXRBRXRG
SCHEMBL5047163 0.83 HDAC6 (0.41) RXRAKMT2ACYP26A1CYP3A4CYP26B1

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 MAOA 2011/4885MAOB 2084/4885RXRA 4/4885

“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.