SCHEMBL12371020

SCHEMBL12371020

COC(=O)C1CCC(c2ccc(-c3ccc(C4CCC(C5CC(=O)O5)CC4)cc3)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SLC6A4 P31645 3/20 0.36
SLC6A2 P23975 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
DGAT1 O75907 1/20 0.34
SOAT1 P35610 1/20 0.34
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
HSD17B10 Q99714 2/20 0.33
LMNA P02545 1/20 0.33
PKM P14618 1/20 0.33
SLC6A3 Q01959 3/20 0.33
HPGD P15428 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
FFAR1 O14842 1/20 0.33
KMT2A Q03164 1/20 0.33
PPM1B O75688 1/20 0.33
PTPN1 P18031 1/20 0.33
PPP1CC P36873 1/20 0.33

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
SCHEMBL12370940 0.84 PPM1B (0.41) ALDH1A1MAPTHSD17B10PKMHPGD
SCHEMBL12371008 0.81 HTT (0.46) NPC1RAB9AALDH1A1MAPTHSD17B10
SCHEMBL12395782 0.80 ESR2 (0.47) NPC1RAB9A
SCHEMBL12371032 0.79 NOTUM (0.38) NPC1RAB9A
SCHEMBL8410121 0.79 ESR2 (0.50) NPC1RAB9ASLC6A4SLC6A2HRH3
SCHEMBL8410119 0.79 ESR2 (0.50) NPC1RAB9ASLC6A4SLC6A2HRH3
SCHEMBL12371048 0.77 ALDH1A1 (0.44) NPC1RAB9AALDH1A1MAPTHSD17B10
SCHEMBL12371067 0.75 KDM4E (0.40) RAB9ASLC6A2ALDH1A1MAPTHSD17B10
SCHEMBL12371000 0.75 MAP1LC3B (0.40) ALDH1A1MAPTLMNAHPGDKMT2A
SCHEMBL8411246 0.75 NPC1 (0.48) NPC1RAB9ASLC6A4SLC6A2HRH3

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-7999123-B2 2-oxetanone derivative and process for production thereof JNC CORPORATION (JP) 2011-08-16 US disclosed
US-7999123-B2 2-oxetanone derivative and process for production thereof JNC CORPORATION (JP) 2011-08-16 US disclosed
US-20090275756-A1 2-OXETANONE DERIVATIVE AND PROCESS FOR PRODUCTION THEREOF CHISSO CORPORATION (JP) 2009-11-05 US disclosed
US-20090275756-A1 2-OXETANONE DERIVATIVE AND PROCESS FOR PRODUCTION THEREOF CHISSO CORPORATION (JP) 2009-11-05 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-20090275756-A1 2-OXETANONE DERIVATIVE AND PROCESS FOR PRODUCTION THEREOF OGDH, OXGR1, OXER1 NPC1 4534/4885RAB9A 1699/4885SLC6A4 2848/4885

“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.