SCHEMBL10022368

SCHEMBL10022368

COc1ccc(C(C)C)cc1Cn1cccn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.49
KAT7 O95251 4/20 0.48
KAT6A Q92794 4/20 0.48
KAT6B Q8WYB5 3/20 0.48
KAT5 Q92993 1/20 0.48
KAT8 Q9H7Z6 1/20 0.48
KMT2A Q03164 6/20 0.47
MEN1 O00255 5/20 0.47
MAPT P10636 3/20 0.47
ALDH1A1 P00352 3/20 0.47
NPSR1 Q6W5P4 3/20 0.47
LMNA P02545 3/20 0.46
HTT P42858 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TACR1 P25103 2/20 0.45
PDE4B Q07343 2/20 0.45
ADRB2 P07550 1/20 0.42
ADRB1 P08588 1/20 0.42
ADRB3 P13945 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL10053919 0.82 MEN1 (0.50) L3MBTL1KAT7KAT6AKAT6BKAT5
SCHEMBL10066968 0.81 KMT2A (0.56) L3MBTL1KAT7KAT6AKAT6BKAT5
SCHEMBL21392835 0.79 CYP19A1 (0.46) L3MBTL1KAT7KAT6AKAT6BKAT5
SCHEMBL4345848 0.78 KMT2A (0.54) L3MBTL1KAT7KAT6AKAT6BKAT5
SCHEMBL28853149 0.78 ADRB2 (0.54) L3MBTL1KAT7KAT6AKAT6BKMT2A
SCHEMBL9886091 0.74 TAAR1 (0.49) ALDH1A1SMN1; SMN2TACR1
SCHEMBL29008820 0.73 KDM4E (0.52) KAT7KAT6AKAT6BKAT5KAT8
SCHEMBL31172576 0.73 HTR2A (0.46) KAT7KAT6AKAT6BKAT5KAT8
SCHEMBL12278150 0.73 GAA (0.59) KAT7KAT6AKAT6BKAT5KAT8
SCHEMBL10022374 0.73 HTT (0.55) KAT7KAT6AKAT6BKAT5KAT8

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-20120165322-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-28 US disclosed
US-20120165322-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-28 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-20120165322-A1 RHO KINASE INHIBITORS ROCK1, ROCK2, RHOA L3MBTL1 4323/4885KAT7 2219/4885KAT6A 2206/4885

“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.