SCHEMBL5043985

SCHEMBL5043985

Cc1cc(C#C[Se]c2cc(OCc3cccc4ccccc34)c3c(c2)C(C)(C)CCC3(C)C)ccc1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.40
PARP10 Q53GL7 2/20 0.38
PARP15 Q460N3 1/20 0.38
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
MCL1 Q07820 1/20 0.35
RARG P13631 2/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
RXRA P19793 1/20 0.33
FFAR1 O14842 1/20 0.33
AKR1B1 P15121 1/20 0.33
CYP26A1 O43174 1/20 0.33
CYP3A4 P08684 1/20 0.33
RARA P10276 1/20 0.33
RARB P10826 1/20 0.33
CRABP2 P29373 1/20 0.33
PTGER1 P34995 1/20 0.33
MRGPRX4 Q96LA9 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
SCHEMBL5050818 0.90 RARB (0.41) FDPSPARP10MEN1KMT2ARARG
SCHEMBL5043943 0.86 CYP3A4 (0.38) FDPSPARP10PARP15MEN1KMT2A
SCHEMBL4948194 0.84 PTGER1 (0.38) RARGRXRAPTGER1
SCHEMBL5050706 0.84 RXRA (0.38) MCL1RARGRXRACYP26A1CYP3A4
SCHEMBL4946746 0.78 RARB (0.43) MEN1KMT2ARARGRXRACYP26A1
SCHEMBL4948642 0.78 RARB (0.41) RARGRXRACYP26A1CYP3A4RARA
SCHEMBL4942429 0.76 RARB (0.43) RARGRXRACYP26A1CYP3A4RARA
SCHEMBL4948843 0.76 RARB (0.44) RARGRXRACYP26A1CYP3A4RARA
SCHEMBL4947928 0.74 CYP26A1 (0.41) RARGRXRACYP26A1CYP3A4RARA
SCHEMBL4951005 0.74 NR4A2 (0.49) PARP10RARGRXRAFFAR1CYP26A1

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 2 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 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 FDPS 1271/4885PARP10 1858/4885PARP15 2385/4885

“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.