SCHEMBL4790080

SCHEMBL4790080

COC(=O)CCC1(c2ccc(OC)cc2)OCCO1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.49
HTT P42858 2/20 0.49
KMT2A Q03164 4/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MEN1 O00255 2/20 0.41
POLB P06746 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
KDM4E B2RXH2 1/20 0.39
F2RL1 P55085 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
MIF P14174 1/20 0.38

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
SCHEMBL8537470 0.87 ALDH1A1 (0.40) ALDH1A1HTTKMT2ALMNAMAPT
SCHEMBL6157178 0.85 ALDH1A1 (0.43) ALDH1A1HTTKMT2ALMNAMAPT
SCHEMBL4789371 0.85 CA1 (0.44) ALDH1A1HTTKMT2AMAPTMEN1
SCHEMBL27496699 0.83 LOXL2 (0.42) ALDH1A1HTTKMT2ALMNAMAPT
SCHEMBL11250459 0.80 SMN1; SMN2 (0.38) ALDH1A1KMT2APOLBSMN1; SMN2NPC1
SCHEMBL2083953 0.78 CA12 (0.39) ALDH1A1HTTKMT2ALMNAMAPT
SCHEMBL10848899 0.77 MAOB (0.41) ALDH1A1KMT2AMEN1POLBSMN1; SMN2
SCHEMBL4611767 0.77 LMNA (0.42) ALDH1A1HTTKMT2ALMNAMAPT
SCHEMBL30408794 0.77 NPC1 (0.49) ALDH1A1HTTKMT2ALMNAMAPT
SCHEMBL2082060 0.75 CA12 (0.41) ALDH1A1KMT2AMEN1POLBSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008011557-A2 HETEROARYL INHIBITORS OF RHO KINASE BORCHARDT ALLEN J (US) 2008-01-24 WO disclosed
WO-2008011557-A2 HETEROARYL INHIBITORS OF RHO KINASE BORCHARDT ALLEN J (US) 2008-01-24 WO disclosed
US-20080021217-A1 HETEROCYCLIC INHIBITORS OF RHO KINASE Borchardt, Allen (US) 2008-01-24 US disclosed
US-20080021217-A1 HETEROCYCLIC INHIBITORS OF RHO KINASE Borchardt, Allen (US) 2008-01-24 US disclosed
US-20080021217-A1 HETEROCYCLIC INHIBITORS OF RHO KINASE Borchardt, Allen (US) 2008-01-24 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-20080021217-A1 HETEROCYCLIC INHIBITORS OF RHO KINASE ROCK1, ROCK2, RHOA ALDH1A1 3968/4885HTT 2356/4885KMT2A 3700/4885

“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.