SCHEMBL10311345

SCHEMBL10311345

CCc1ccc2c(c1)C=CC(=O)C2=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 4/20 0.53
ALDH1A1 P00352 3/20 0.50
MAPT P10636 3/20 0.50
LMNA P02545 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
NPC1 O15118 1/20 0.50
MAPK1 P28482 1/20 0.50
RAB9A P51151 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 1/20 0.47
BCHE P06276 1/20 0.47
POLB P06746 1/20 0.47
THRB P10828 1/20 0.47
PKM P14618 1/20 0.47
IDO1 P14902 1/20 0.47
HPGD P15428 1/20 0.47
ALOX15 P16050 1/20 0.47
PTPN1 P18031 1/20 0.47

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
SCHEMBL25934356 0.81 PTPRC (0.45) PTPRCALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL27346900 0.77 ALDH1A1 (0.48) PTPRCALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL2407584 0.76 ALDH1A1 (0.57) ALDH1A1MAPTLMNASMN1; SMN2NPC1
SCHEMBL16900338 0.75 PTPRC (0.53) PTPRCALDH1A1MAPTLMNAMAPK1
1,2-Naphthoquinone SCHEMBL27704185 0.74 MAPT (0.61) PTPRCALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL3725061 0.72 SLC7A5 (0.51) PTPRCKDM4EPKMALOX15RECQL
Naphthoquinone SCHEMBL28086193 0.71 ALDH1A1 (0.83) ALDH1A1MAPTLMNASMN1; SMN2NPC1
SCHEMBL11892894 0.71 SMN1; SMN2 (0.80) ALDH1A1MAPTLMNASMN1; SMN2NPC1
SCHEMBL19396241 0.71 SMN1; SMN2 (0.88) ALDH1A1MAPTLMNASMN1; SMN2NPC1
SCHEMBL11881427 0.71 SMN1; SMN2 (0.88) ALDH1A1MAPTLMNASMN1; SMN2NPC1

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-20120178752-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-07-12 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-20120178752-A1 RHO KINASE INHIBITORS ROCK1, ROCK2, RHOA PTPRC 847/4885ALDH1A1 2643/4885MAPT 791/4885

“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.