SCHEMBL19639451

SCHEMBL19639451

COCCOCOc1ccc(C(=O)CC(=O)c2ccc(C(=O)OC)cc2)cc1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 5/20 0.63
IKBKB O14920 4/20 0.63
RARG P13631 4/20 0.42
RARB P10826 3/20 0.42
CYP3A4 P08684 1/20 0.41
CTNNB1 P35222 1/20 0.41
MEN1 O00255 1/20 0.41
NR1I2 O75469 1/20 0.41
LMNA P02545 1/20 0.41
PGR P06401 1/20 0.41
HSPD1 P10809 1/20 0.41
GOT1 P17174 1/20 0.41
GLRA1 P23415 1/20 0.41
BLM P54132 1/20 0.41
HSPE1 P61604 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HIF1A Q16665 5/20 0.41
EPAS1 Q99814 2/20 0.41
MDH1 P40925 1/20 0.41

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
SCHEMBL19639432 0.94 RARA (0.67) RARAIKBKBRARGRARBMEN1
SCHEMBL17847393 0.92 RARA (0.74) RARAIKBKBRARGRARBMEN1
SCHEMBL19639489 0.91 RARA (0.62) RARAIKBKBRARGRARBMEN1
SCHEMBL23927758 0.89 RARA (0.59) RARAIKBKBRARGRARBCYP3A4
SCHEMBL8570423 0.88 RARA (0.59) RARAIKBKBRARGRARBMEN1
SCHEMBL17847378 0.87 RARA (0.66) RARAIKBKBRARGRARBCYP3A4
SCHEMBL5888172 0.86 RARA (0.77) RARAIKBKBRARGRARBMEN1
SCHEMBL8694764 0.86 RARA (0.68) RARAIKBKBRARGRARBCTNNB1
SCHEMBL5888298 0.86 RARA (0.68) RARAIKBKBRARGRARBCTNNB1
SCHEMBL8690758 0.85 RARA (0.65) RARAIKBKBRARGRARBMEN1

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
CN-107250115-B Compounds, synthesis method thereof and application thereof in medicines and cosmetics 盖尔德马研究及发展公司 2021-11-05 CN disclosed
EP-3233806-B1 HETEROCYCLIC COMPOUNDS, PROCESS FOR THEIR PREPARATION AND USE THEREOF IN MEDICINE AS WELL AS IN COSMETICS GALDERMA RES & DEV (FR) 2021-10-27 EP disclosed
US-10647688-B2 Compounds, synthesis method thereof and use of same in medicine and in cosmetics GALDERMA RESEARCH & DEVELOPMENT (FR) 2020-05-12 US disclosed
US-20170342040-A1 NOVEL COMPOUNDS, SYNTHESIS METHOD THEREOF AND USE OF SAME IN MEDICINE AND IN COSMETICS GALDERMA RESEARCH & DEVELOPMENT (FR) 2017-11-30 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 (2 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-20170342040-A1 NOVEL COMPOUNDS, SYNTHESIS METHOD THEREOF AND USE OF SAME IN MEDICINE AND IN COSMETICS RARA, RARB, RARG RARA 1/4885IKBKB 1870/4885RARG 3/4885
US-10647688-B2 Compounds, synthesis method thereof and use of same in medicine and in cosmetics RARA, RARB, RARG RARA 1/4885IKBKB 1544/4885RARG 3/4885

“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.