SCHEMBL21858074

SCHEMBL21858074

[C]#Cc1cccc2oc3ccccc3c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC14B O60729 2/20 0.44
CDC14A Q9UNH5 2/20 0.44
ALDH1A1 P00352 6/20 0.43
MAOA P21397 5/20 0.43
KDM4E B2RXH2 5/20 0.43
HPGD P15428 4/20 0.43
MAPT P10636 3/20 0.43
GLA P06280 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HSD17B10 Q99714 2/20 0.43
CYP3A4 P08684 1/20 0.43
PGAM1 P18669 1/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
AHR P35869 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
NPC1 O15118 1/20 0.37

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
SCHEMBL29054008 0.82 CDC14B (0.40) CDC14BCDC14AALDH1A1MAOAKDM4E
SCHEMBL30892322 0.80 CA1 (0.44) CDC14BCDC14AALDH1A1MAOAKDM4E
SCHEMBL4126697 0.80 MAOA (0.48) CDC14BCDC14AALDH1A1MAOAKDM4E
SCHEMBL6006641 0.80 CDC14B (0.47) CDC14BCDC14AALDH1A1MAOAKDM4E
SCHEMBL19537979 0.80 CA1 (0.44) CDC14BCDC14AALDH1A1MAOAKDM4E
SCHEMBL25056552 0.80 CDC14B (0.47) CDC14BCDC14AALDH1A1MAOAKDM4E
SCHEMBL21858059 0.78 ALOX5 (0.42) ALDH1A1MAOAKDM4EHPGDMAPT
SCHEMBL21858100 0.76 ALDH1A1 (0.44) ALDH1A1MAOAHPGDHSD17B10CASP1
SCHEMBL25056553 0.74 CDC14B (0.43) CDC14BCDC14AALDH1A1MAOAKDM4E
SCHEMBL2195718 0.73 MAOA (0.54) CDC14BCDC14AALDH1A1MAOAKDM4E

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 4547/4885ALDH1A1 342/4885
US-20210355058-A1 POLYCYCLIC COMPOUNDS CBR1, CBR3, C1R CDC14B 4529/4885CDC14A 4429/4885ALDH1A1 409/4885

“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.