SCHEMBL21858077

SCHEMBL21858077

C(#Cc1cccc2oc3ccccc3c12)c1[c]cccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC14B O60729 2/20 0.36
CDC14A Q9UNH5 2/20 0.36
MAOA P21397 3/20 0.34
ALDH1A1 P00352 3/20 0.34
GLA P06280 2/20 0.34
KDM4E B2RXH2 2/20 0.34
MAPT P10636 2/20 0.34
HPGD P15428 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
CYP3A4 P08684 1/20 0.34
PGAM1 P18669 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
HSD17B10 Q99714 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.30
TDP1 Q9NUW8 1/20 0.30
AHR P35869 2/20 0.30
RAB9A P51151 2/20 0.30
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30

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
SCHEMBL21858922 0.82 ALDH1A1 (0.33) ALDH1A1HPGDHSD17B10
SCHEMBL21858078 0.77 CDC14B (0.41) CDC14BCDC14AMAOAALDH1A1GLA
SCHEMBL21858053 0.76 CHAT (0.49) MAOAALDH1A1KDM4EMAPTHPGD
SCHEMBL29054008 0.71 CDC14B (0.40) CDC14BCDC14AMAOAALDH1A1GLA
SCHEMBL21858114 0.71 HPRT1 (0.44) ALDH1A1MAPTHPGDCYP3A4HSD17B10
SCHEMBL17223626 0.70 NPC1 (0.49) CDC14BCDC14AALDH1A1KDM4EMAPT
SCHEMBL25056552 0.70 CDC14B (0.47) CDC14BCDC14AMAOAALDH1A1GLA
SCHEMBL4126697 0.70 MAOA (0.48) CDC14BCDC14AMAOAALDH1A1GLA
SCHEMBL19537979 0.70 CA1 (0.44) CDC14BCDC14AMAOAALDH1A1GLA
SCHEMBL21858074 0.70 CDC14B (0.44) CDC14BCDC14AMAOAALDH1A1GLA

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-112955422-B polycyclic compound 三菱瓦斯化学株式会社 2023-08-22 CN disclosed
US-20210355058-A1 POLYCYCLIC COMPOUNDS MITSUBISHI GAS CHEMICAL CO (JP) 2021-11-18 US disclosed
US-20210340317-A1 POLYCYCLIC COMPOUNDS REUTER CHEMISCHE APPARATEBAU E.K. (DE) 2021-11-04 US disclosed
CN-112955422-A Polycyclic compounds 三菱瓦斯化学株式会社 2021-06-11 CN disclosed
WO-2020079225-A1 POLYCYCLIC COMPOUNDS REUTER CHEMISCHE APPARATEBAU E.K. (DE) 2020-04-23 WO disclosed
WO-2020080558-A1 POLYCYCLIC COMPOUNDS MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2020-04-23 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-20210340317-A1 POLYCYCLIC COMPOUNDS CBR1, C1R, CBR3 CDC14B 4616/4885CDC14A 4547/4885MAOA 2050/4885
US-20210355058-A1 POLYCYCLIC COMPOUNDS CBR1, CBR3, C1R CDC14B 4529/4885CDC14A 4429/4885MAOA 2293/4885

“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.