SCHEMBL21042136

SCHEMBL21042136

Ic1ccc(C23CC(c4ccccc4)(C2)C3)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.41
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 1/20 0.37
GRIN2C Q14957 1/20 0.37
GRIN3A Q8TCU5 1/20 0.37
MAOB P27338 6/20 0.34
MAOA P21397 5/20 0.34
OPRM1 P35372 2/20 0.33
APP P05067 1/20 0.33
OPRK1 P41145 1/20 0.33
OPRL1 P41146 1/20 0.33
TAAR1 Q96RJ0 1/20 0.32
ORAI1 Q96D31 1/20 0.32
ORAI2 Q96SN7 1/20 0.32
ORAI3 Q9BRQ5 1/20 0.32
TRPV6 Q9H1D0 1/20 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
SCHEMBL2236380 0.90 OPRM1 (0.34) OPRM1
SCHEMBL21043070 0.90 OPRM1 (0.34) OPRM1
SCHEMBL30555211 0.84 PNMT (0.52) PNMTGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL3973946 0.84 PNMT (0.52) PNMTGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL21042485 0.79 MAOB (0.38) MAOBMAOAOPRM1
SCHEMBL21936274 0.79 MAOB (0.39) MAOBMAOAAPP
SCHEMBL14468548 0.79 MAOB (0.38) MAOBMAOAOPRM1
SCHEMBL2710992 0.77 PNMT (0.46) PNMTGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL19830978 0.76 PNMT (0.41) PNMTGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL5713324 0.75 ALDH1A1 (0.47) PNMTTAAR1

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 PNMT 791/4885GRIN2D 1165/4885GRIN3B 602/4885

“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.