SCHEMBL17847398

SCHEMBL17847398

CCOCOc1ccc(C#N)cc1C1(C)CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.43
PTGDR Q13258 1/20 0.43
TRPV4 Q9HBA0 1/20 0.36
BACE1 P56817 1/20 0.33
RARA P10276 2/20 0.33
RARB P10826 2/20 0.33
RARG P13631 2/20 0.33
NR3C2 P08235 2/20 0.32
NR3C1 P04150 1/20 0.32
PGR P06401 1/20 0.32
AR P10275 1/20 0.32
KDM1A O60341 2/20 0.32
SLC6A4 P31645 2/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
OPRD1 P41143 1/20 0.31
CETP P11597 1/20 0.31
S1PR1 P21453 1/20 0.31

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
SCHEMBL17847413 0.82 PTGDR (0.44) PTGDR2PTGDRRARARARBRARG
SCHEMBL19639459 0.79 PTGDR (0.44) PTGDR2PTGDRRARARARBRARG
SCHEMBL23927772 0.78 PTGDR (0.39) PTGDR2PTGDRSLC6A4CETP
SCHEMBL17847388 0.75 PTGDR (0.41) PTGDR2PTGDRRARARARBRARG
SCHEMBL19639458 0.74 PTGDR (0.39) PTGDR2PTGDRSLC6A4CETP
SCHEMBL17847410 0.73 LMNA (0.31) PTGDR2PTGDR
SCHEMBL5089148 0.72 TRPV4 (0.42) PTGDR2TRPV4NR3C1ARS1PR1
SCHEMBL17847396 0.70 TRPV4 (0.43) PTGDR2TRPV4ARS1PR1
SCHEMBL31314271 0.69 TRPV4 (0.46) TRPV4NR3C2NR3C1PGRAR
SCHEMBL16905204 0.67 KDM1A (0.44) BACE1ARKDM1AOPRD1

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 6 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
EP-3233806-A1 NOVEL COMPOUNDS, SYNTHESIS METHOD THEREOF AND USE OF SAME IN MEDICINE AND IN COSMETICS Galderma Research & Development (FR) 2017-10-25 EP disclosed
WO-2016097626-A1 NOVEL COMPOUNDS, SYNTHESIS METHOD THEREOF AND USE OF SAME IN MEDICINE AND IN COSMETICS GALDERMA RESEARCH & DEVELOPMENT (FR) 2016-06-23 WO 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 PTGDR2 225/4885PTGDR 365/4885TRPV4 797/4885
US-10647688-B2 Compounds, synthesis method thereof and use of same in medicine and in cosmetics RARA, RARB, RARG PTGDR2 224/4885PTGDR 300/4885TRPV4 729/4885

“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.