SCHEMBL21784527

SCHEMBL21784527

COc1cc(OC)c(-c2cccc(Cl)c2F)cc1-c1ccccc1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 1/20 0.45
MAPK14 Q16539 1/20 0.45
DHPS P49366 1/20 0.43
CTSA P10619 3/20 0.41
RPS6KA2 Q15349 1/20 0.39
ALDH1A1 P00352 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
ERN1 O75460 1/20 0.38
NPC1 O15118 3/20 0.38
HTT P42858 1/20 0.38
ORAI1 Q96D31 1/20 0.38
RAB9A P51151 2/20 0.37
GNRHR P30968 1/20 0.37
MEN1 O00255 1/20 0.37
TP53 P04637 1/20 0.37
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 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
SCHEMBL21784825 0.87 ORAI1 (0.42) DHPSALDH1A1KMT2AKDM4EERN1
SCHEMBL9106393 0.85 ERN1 (0.46) DHPSRPS6KA2ALDH1A1KMT2AKDM4E
SCHEMBL30012355 0.85 ERN1 (0.46) DHPSRPS6KA2ALDH1A1KMT2AKDM4E
SCHEMBL18339168 0.80 ERN1 (0.47) DHPSRPS6KA2ALDH1A1ERN1NPC1
SCHEMBL23028207 0.78 MAPK10 (0.40) MAPK10MAPK14CTSAKMT2ALMNA
SCHEMBL19824463 0.78 MAPK10 (0.40) MAPK10MAPK14CTSAALDH1A1KMT2A
SCHEMBL21906407 0.78 FABP4 (0.43) MAPK10MAPK14DHPSCTSARPS6KA2
SCHEMBL21784518 0.78 NMUR2 (0.41) ALDH1A1KMT2AKDM4ELMNANPC1
SCHEMBL21331559 0.77 MAPK10 (0.42) MAPK10MAPK14CTSAALDH1A1KMT2A
SCHEMBL21331588 0.77 MAPK10 (0.42) MAPK10MAPK14CTSAALDH1A1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220109115-A1 POLYCYCLIC COMPOUND, AND AN ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING THE POLYCYCLIC COMPOUND IDEMITSU KOSAN CO.,LTD. (JP) 2022-04-07 US disclosed
WO-2020044270-A1 POLYCYCLIC COMPOUND, AND AN ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING THE POLYCYCLIC COMPOUND IDEMITSU KOSAN CO., LTD. (JP) 2020-03-05 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 (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-20220109115-A1 POLYCYCLIC COMPOUND, AND AN ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING THE POLYCYCLIC COMPOUND ODC1, OTC, PKD1 MAPK10 1917/4885MAPK14 1753/4885DHPS 191/4885

“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.