SCHEMBL3286934

SCHEMBL3286934

CCOC(=O)CCN(C(=O)CC(=O)OCC)C1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.42
GAA P10253 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
ALDH1A1 P00352 8/20 0.42
L3MBTL1 Q9Y468 2/20 0.40
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
PDE2A O00408 1/20 0.39
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
P2RY12 Q9H244 1/20 0.39
THRB P10828 1/20 0.38
ATM Q13315 1/20 0.38
SMYD3 Q9H7B4 1/20 0.38
LMNA P02545 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KMT2A Q03164 2/20 0.37
PKM P14618 1/20 0.37
MEN1 O00255 1/20 0.37

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
SCHEMBL22216377 1.00 MGAM (0.42) MGAMGAASIMGAM2ALDH1A1
SCHEMBL22216156 0.98 MGAM (0.44) MGAMGAASIMGAM2ALDH1A1
SCHEMBL22323081 0.94 GAA (0.45) MGAMGAASIMGAM2ALDH1A1
SCHEMBL6499787 0.81 ALDH1A1 (0.41) ALDH1A1L3MBTL1KDM4ENPC1PDE2A
SCHEMBL16935877 0.81 PYGL (0.43) MGAMGAASIMGAM2ALDH1A1
SCHEMBL3188799 0.81 TSHR (0.39) ALDH1A1L3MBTL1SMYD3LMNAKMT2A
SCHEMBL11434281 0.80 GAA (0.48) MGAMGAASIMGAM2ALDH1A1
SCHEMBL6495211 0.80 ALDH1A1 (0.39) ALDH1A1L3MBTL1PDE2APDE3BPDE3A
SCHEMBL4442140 0.79 KMT2A (0.46) ALDH1A1L3MBTL1LMNANPSR1KMT2A
SCHEMBL31126845 0.79 CYP1A2 (0.41) ALDH1A1L3MBTL1KDM4ENPC1PDE2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8420637-B2 Abnormal cannabidiols as agents for lowering intraocular pressure ALLERGAN, INC. (US) 2013-04-16 US disclosed
US-7718830-B2 Abnormal cannabidiols as agents for lowering intraocular pressure ALLERGAN, INC. (US) 2010-05-18 US disclosed
US-20100010027-A1 ABNORMAL CANNABIDIOLS AS AGENTS FOR LOWERING INTRAOCULAR PRESSURE ALLERGAN, INC. 2010-01-14 US disclosed
US-7618966-B2 Abnormal Cannabidiols as agents for lowering intraocular pressure ALLERGAN, INC. (US) 2009-11-17 US disclosed
US-7612101-B2 Abnormal cannabidiols as agents for lowering intraocular pressure ALLERGAN, INC. (US) 2009-11-03 US disclosed
US-20070249731-A1 Abnormal cannabidiols as agents for lowering intraocular pressure ALLERGAN, INC. 2007-10-25 US disclosed
US-20070249581-A1 Abnormal Cannabidiols as agents for lowering intraocular pressure ALLERGAN, INC. 2007-10-25 US disclosed
US-20070249602-A1 4-(1-isopropyl-4-methyl-1,2,5,6-tetra-hydropyridin-2-yl)-5-methylbenzene- 1,3-diol; glaucoma or ocular hypertension ALLERGAN, INC. 2007-10-25 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 (4 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-20070249581-A1 Abnormal Cannabidiols as agents for lowering intraocular pressure CNR2, CNR1, PTGIR MGAM 4352/4885GAA 4467/4885SI 4865/4885
US-20070249731-A1 Abnormal cannabidiols as agents for lowering intraocular pressure CNR2, CNR1, PTGIR MGAM 4352/4885GAA 4467/4885SI 4865/4885
US-20070249602-A1 4-(1-isopropyl-4-methyl-1,2,5,6-tetra-hydropyridin-2-yl)-5-methylbenzene- 1,3-diol; glaucoma or ocular hypertension PTGIR, PTGS1, PTGIS MGAM 4677/4885GAA 4377/4885SI 4849/4885
US-20100010027-A1 ABNORMAL CANNABIDIOLS AS AGENTS FOR LOWERING INTRAOCULAR PRESSURE CNR2, CNR1, PTGIR MGAM 4352/4885GAA 4467/4885SI 4865/4885

“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.