SCHEMBL21742873

SCHEMBL21742873

Cc1cccc2c1-c1ccc(-c3ccc4oc5ccccc5c4c3)cc1C2(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.39
HPGD P15428 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
ALDH1A1 P00352 3/20 0.39
RAB9A P51151 2/20 0.39
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 2/20 0.39
MAPT P10636 2/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 1/20 0.39
PGR P06401 1/20 0.38
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
PDK2 Q15119 2/20 0.35
CYP1A2 P05177 2/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
PLA2G2A P14555 2/20 0.34
PLA2G4A P47712 2/20 0.34
PLA2G10 O15496 1/20 0.34

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
SCHEMBL21742674 0.93 HPGD (0.40) MAOAHPGDSMN1; SMN2ALDH1A1RAB9A
SCHEMBL21742876 0.87 PDK2 (0.36) MAOAHPGDSMN1; SMN2ALDH1A1RAB9A
SCHEMBL21742671 0.86 ALOX5 (0.50) MAOAMEN1KMT2APGRPDK2
SCHEMBL21742869 0.86 HPGD (0.38) MAOAHPGDSMN1; SMN2ALDH1A1RAB9A
SCHEMBL21742676 0.86 HPGD (0.38) MAOAHPGDSMN1; SMN2ALDH1A1RAB9A
SCHEMBL18086158 0.84 HSP90AA1 (0.43) MAOAHPGDSMN1; SMN2ALDH1A1RAB9A
SCHEMBL16017880 0.84 HSP90AA1 (0.43) MAOAHPGDSMN1; SMN2ALDH1A1RAB9A
SCHEMBL13443626 0.84 MAPT (0.44) MAOAHPGDSMN1; SMN2ALDH1A1RAB9A
SCHEMBL24877883 0.82 HSP90AA1 (0.40) MAOAHPGDSMN1; SMN2ALDH1A1RAB9A
SCHEMBL9917145 0.82 PGR (0.40) MAOAHPGDSMN1; SMN2ALDH1A1RAB9A

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 MAOA 24/4885HPGD 1884/4885SMN1; 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.