SCHEMBL21041891

SCHEMBL21041891

Fc1ccc(C23CCC(c4ccc(I)cc4)(CC2)CC3)cc1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.39
MAOA P21397 1/20 0.39
SLC6A3 Q01959 3/20 0.38
APP P05067 1/20 0.38
PNMT P11086 1/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A2 P23975 1/20 0.35
HSD11B1 P28845 1/20 0.34
OPRM1 P35372 1/20 0.33
DAO P14920 1/20 0.33
RORC P51449 2/20 0.32

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
SCHEMBL21936274 0.86 MAOB (0.39) MAOBMAOASLC6A3APPSLC6A4
SCHEMBL19830973 0.79 PNMT (0.58) MAOBMAOASLC6A3PNMTHSD11B1
SCHEMBL21935248 0.77 ACHE (0.59) MAOBMAOASLC6A3SLC6A4SLC6A2
SCHEMBL1216 0.77
SCHEMBL18472615 0.77
SCHEMBL9451555 0.77 CHRNA1 (0.36) MAOBMAOASLC6A3APPSLC6A2
SCHEMBL9451488 0.74 ALDH1A1 (0.34) PNMTOPRM1
Bromide SCHEMBL9419856 0.74
SCHEMBL7216161 0.74
Phosphine SCHEMBL28954456 0.74

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
EP-3487864-B1 METAL COMPLEXES FOR USE AS EMITTERS IN ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2020-04-29 EP disclosed
US-20190161510-A1 METAL COMPLEXES FOR USE AS EMITTERS IN ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2019-05-30 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-20190161510-A1 METAL COMPLEXES FOR USE AS EMITTERS IN ORGANIC ELECTROLUMINESCENCE DEVICES MCU, AP3M1, AP2M1 MAOB 1713/4885MAOA 1098/4885SLC6A3 1033/4885

“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.