SCHEMBL1369571

SCHEMBL1369571

CCOC(=O)CC(CN)c1cccc(OC)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.52
F10 P00742 3/20 0.47
F2 P00734 3/20 0.47
PRSS1 P07477 1/20 0.47
MTNR1A P48039 3/20 0.46
MTNR1B P49286 3/20 0.46
MAPK1 P28482 2/20 0.45
ALDH1A1 P00352 1/20 0.45
TSHR P16473 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
ROCK2 O75116 2/20 0.45
AOC3 Q16853 2/20 0.44
CHEK1 O14757 1/20 0.43
RPS6KA5 O75582 1/20 0.43
MAP4K4 O95819 1/20 0.43
CHEK2 O96017 1/20 0.43
PRKCG P05129 1/20 0.43
CDK1 P06493 1/20 0.43
PRKACA P17612 1/20 0.43
RPS6KB1 P23443 1/20 0.43

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
SCHEMBL11265857 0.85 L3MBTL1 (0.47) L3MBTL1F10F2PRSS1MTNR1A
Hydrochloric Acid SCHEMBL5425827 0.84 L3MBTL1 (0.46) L3MBTL1F10F2PRSS1MTNR1A
SCHEMBL21609290 0.84 F10 (0.49) F10F2PRSS1ALDH1A1TSHR
SCHEMBL13724830 0.84 L3MBTL1 (0.55) L3MBTL1MTNR1AMTNR1BMAPK1ALDH1A1
SCHEMBL21631926 0.83 GABBR2 (0.61) L3MBTL1MTNR1AMTNR1BTSHRAOC3
SCHEMBL21656590 0.83 L3MBTL1 (0.51) L3MBTL1MTNR1AMTNR1BMAPK1ROCK2
SCHEMBL21609295 0.83 F10 (0.48) L3MBTL1F10F2PRSS1MAPK1
SCHEMBL29847219 0.83 F10 (0.48) L3MBTL1F10F2PRSS1MAPK1
SCHEMBL563435 0.83 F10 (0.48) F10F2PRSS1ALDH1A1TSHR
Hydrochloric Acid SCHEMBL7189616 0.83 L3MBTL1 (0.53) L3MBTL1MTNR1AMTNR1BMAPK1ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8461329-B2 Isoquinoline derivative TAISHO PHARMACEUTICAL CO., LTD. (JP) 2013-06-11 US disclosed
US-20110288293-A1 ISOQUINOLINE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-11-24 US disclosed
EP-2377851-A1 ISOQUINOLINE DERIVATIVE Taisho Pharmaceutical Co., Ltd. (JP) 2011-10-19 EP 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-20110288293-A1 ISOQUINOLINE DERIVATIVE HRH1, HRH2, HRH4 L3MBTL1 4825/4885F10 4394/4885F2 4168/4885

“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.