SCHEMBL19639435

SCHEMBL19639435

CCCOc1ccc(-c2noc(-c3ccc(C(=O)OC)cc3)n2)cc1C1(C)CCCCC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.56
S1PR1 P21453 9/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
ALDH1A1 P00352 2/20 0.45
RARA P10276 1/20 0.45
RARB P10826 1/20 0.45
RARG P13631 1/20 0.45
TP53 P04637 1/20 0.42
ATM Q13315 1/20 0.42
NLRP3 Q96P20 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
S1PR3 Q99500 1/20 0.40
SMPD1 P17405 1/20 0.40
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HTT P42858 1/20 0.39
PTGDR Q13258 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
BCHE P06276 1/20 0.39

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
SCHEMBL17847412 0.91 RARB (0.51) MAPTS1PR1ALDH1A1RARARARB
SCHEMBL19639472 0.89 MAPT (0.54) MAPTS1PR1NPC1RAB9AALDH1A1
SCHEMBL19639440 0.85 MAPT (0.58) MAPTS1PR1NPC1RAB9AALDH1A1
SCHEMBL17847377 0.80 RARB (0.49) MAPTS1PR1NPC1RAB9AALDH1A1
SCHEMBL19639449 0.80 RARB (0.67) MAPTNPC1RARARARBRARG
SCHEMBL19639499 0.79 RARB (0.51) MAPTS1PR1RARARARBRARG
SCHEMBL23952948 0.79 RARA (0.43) MAPTS1PR1ALDH1A1RARARARB
SCHEMBL19639510 0.79 RARB (0.50) MAPTS1PR1RARARARBRARG
SCHEMBL19639416 0.79 RARB (0.50) MAPTS1PR1RARARARBRARG
SCHEMBL19639455 0.78 RARB (0.49) MAPTS1PR1RARARARBRARG

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 MAPT 4704/4885S1PR1 1606/4885NPC1 2472/4885
US-10647688-B2 Compounds, synthesis method thereof and use of same in medicine and in cosmetics RARA, RARB, RARG MAPT 4629/4885S1PR1 1450/4885NPC1 2178/4885

“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.