SCHEMBL321825

SCHEMBL321825

CC(C)(C)OC(=O)NCCCc1cccc(C(=O)O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.50
POLB P06746 1/20 0.48
IDO1 P14902 1/20 0.47
NR1H4 Q96RI1 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MEN1 O00255 1/20 0.46
GAA P10253 1/20 0.46
KMT2A Q03164 1/20 0.46
NQO2 P16083 1/20 0.46
P2RY14 Q15391 1/20 0.45
CYP4F2 P78329 1/20 0.45
CYP4A11 Q02928 1/20 0.45
CYP3A4 P08684 1/20 0.45
F10 P00742 1/20 0.45
MAPT P10636 1/20 0.45
ATM Q13315 1/20 0.45

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
SCHEMBL29347084 0.95 NPSR1 (0.52) SIGMAR1IDO1NR1H4NPSR1CYP4F2
SCHEMBL31729994 0.95 NPSR1 (0.52) SIGMAR1IDO1NR1H4NPSR1CYP4F2
SCHEMBL320558 0.92 NQO2 (0.50) SIGMAR1POLBIDO1NR1H4NPC1
SCHEMBL31747308 0.89 CYP4F2 (0.60) SIGMAR1RAB9AMTNR1AMTNR1BMEN1
SCHEMBL31747309 0.89 FAAH (0.51) SIGMAR1POLBIDO1MTNR1AMTNR1B
SCHEMBL5725025 0.89 CYP4F2 (0.60) SIGMAR1RAB9AMTNR1AMTNR1BMEN1
SCHEMBL44899 0.88 IDO1 (0.47) SIGMAR1IDO1NR1H4NPSR1NQO2
SCHEMBL25378075 0.88 CA14 (0.45) SIGMAR1POLBIDO1NR1H4NPSR1
SCHEMBL30563213 0.88 CA14 (0.45) SIGMAR1POLBIDO1NR1H4NPSR1
SCHEMBL4583683 0.85 POLB (0.65) SIGMAR1POLBIDO1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025262297-A1 PROTAC DEGRADERS OF MLLT1 AND/OR MLLT3 DARK BLUE THERAPEUTICS LTD (GB) 2025-12-26 WO disclosed
EP-4667467-A1 PROTAC DEGRADERS OF MLLT1 AND/OR MLLT3 Dark Blue Therapeutics Ltd (GB) 2025-12-24 EP disclosed
EP-2590942-B1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2016-05-04 EP disclosed
US-9079880-B2 Rho kinase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-07-14 US disclosed
EP-2590942-A1 RHO KINASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2013-05-15 EP disclosed
US-20120178752-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-07-12 US disclosed
WO-2012006202-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-12 WO 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 SIGMAR1 1769/4885POLB 2711/4885IDO1 2967/4885

“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.