SCHEMBL21742676

SCHEMBL21742676

Cc1cccc2c1-c1ccccc1C21c2ccccc2-c2ccc(-c3ccc4oc5ccccc5c4c3)cc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
KMT2A Q03164 2/20 0.38
NPC1 O15118 1/20 0.38
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37
PDK2 Q15119 5/20 0.36
MAOA P21397 1/20 0.35
AHR P35869 1/20 0.35
ALOX5 P09917 2/20 0.34
PGR P06401 1/20 0.34
CYP1A2 P05177 2/20 0.33
PLA2G2A P14555 2/20 0.33
PLA2G4A P47712 2/20 0.33
PLA2G10 O15496 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
SCHEMBL21742869 1.00 HPGD (0.38) HPGDRAB9ASMN1; SMN2KDM4EMEN1
SCHEMBL21742871 0.88 PDK2 (0.38) HPGDRAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL21742875 0.88 PDK2 (0.38) HPGDRAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL17191631 0.88 MAPT (0.44) HPGDRAB9ASMN1; SMN2KDM4EMEN1
SCHEMBL21742872 0.87 ALOX5 (0.49) HPGDRAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL24571012 0.86 PLA2G2A (0.43) HPGDRAB9ASMN1; SMN2KDM4EMEN1
SCHEMBL13443698 0.86 AHR (0.42) HPGDRAB9ASMN1; SMN2KDM4EMEN1
SCHEMBL16491685 0.86 NPC1 (0.36) HPGDRAB9ASMN1; SMN2KDM4EMEN1
SCHEMBL21742873 0.86 MAOA (0.39) HPGDRAB9ASMN1; SMN2KDM4EMEN1
SCHEMBL21742673 0.85 PDK2 (0.41) HPGDRAB9ASMN1; SMN2KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200055822-A1 MATERIALS FOR ORGANIC ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2020-02-20 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-20200055822-A1 MATERIALS FOR ORGANIC ELECTRONIC DEVICES PNMT, DDT, TYR HPGD 1884/4885RAB9A 2572/4885SMN1; SMN2 4133/4885

“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.