SCHEMBL21785111

SCHEMBL21785111

CC(c1ccc2cnccc2c1)C1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 10/20 0.46
ROCK1 Q13464 1/20 0.40
PRMT3 O60678 5/20 0.39
CDK2 P24941 3/20 0.39
PRKCZ Q05513 1/20 0.39
SMYD3 Q9H7B4 1/20 0.39
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
IKBKB O14920 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
SCHEMBL1266869 0.77 PRKCZ (0.46) AKT1ROCK1PRKCZSLC6A2SLC6A4
SCHEMBL30087223 0.77 PRKCZ (0.46) AKT1ROCK1PRKCZSLC6A2SLC6A4
SCHEMBL24040173 0.74 CYP19A1 (0.40) AKT1ROCK1
SCHEMBL13877544 0.74 ROCK2 (0.43) AKT1ROCK1PRKCZ
SCHEMBL3128980 0.74 UGT2B7 (0.58) ROCK1SLC6A2SLC6A4SLC6A3
SCHEMBL18823394 0.73 CYP19A1 (0.49) AKT1ROCK1
SCHEMBL30978865 0.72 SLC6A3 (0.40) ROCK1SLC6A2SLC6A4SLC6A3
SCHEMBL21422239 0.72 SLC6A3 (0.40) ROCK1SLC6A2SLC6A4SLC6A3
SCHEMBL28596057 0.72 UGT2B7 (0.55) SLC6A2SLC6A4SLC6A3
SCHEMBL3311589 0.72 ROCK1 (0.54) AKT1ROCK1CDK2PRKCZIKBKB

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-20200111977-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2020-04-09 US disclosed
US-20200071346-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND DIAGNOSTIC COMPOSITION INCLUDING THE ORGANOMETALLIC COMPOUND SAMSUNG ELECTRONICS CO., LTD. (KR) 2020-03-05 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 (2 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-20200071346-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND DIAGNOSTIC COMPOSITION INCLUDING THE ORGANOMETALLIC COMPOUND ORC3, ORMDL3, OR10J3 AKT1 4523/4885ROCK1 2570/4885PRMT3 208/4885
US-20200111977-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME ORC3, ORMDL3, OR10J3 AKT1 4808/4885ROCK1 4244/4885PRMT3 1050/4885

“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.