SCHEMBL4056563

SCHEMBL4056563

O=c1cc(O)ccn1C1CCCCC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.43
GLA P06280 1/20 0.43
GAA P10253 2/20 0.38
HSD17B10 Q99714 1/20 0.37
KDM4E B2RXH2 1/20 0.36
NOX4 Q9NPH5 1/20 0.36
NOX1 Q9Y5S8 1/20 0.36
HCAR1 Q9BXC0 3/20 0.36
ESR1 P03372 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
AOC3 Q16853 2/20 0.35
IDO1 P14902 1/20 0.35
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
MAPK1 P28482 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL116553 0.91 OPRM1 (0.39) POLBGLAAOC3MAOAMAOB
SCHEMBL633454 0.84 ESR2 (0.41) POLBGLAESR1AOC3MAOA
SCHEMBL29995498 0.77 KRAS (0.31) MAOAMAOB
SCHEMBL633650 0.77 HPGD (0.36) GAAHSD17B10KDM4EMAOAMAOB
SCHEMBL31482726 0.76 AOC3 (0.36) POLBGLAHCAR1AOC3
SCHEMBL17563246 0.76 NR1I2 (0.40) POLBGLAGAAHSD17B10KDM4E
SCHEMBL19677419 0.76 SMN1; SMN2 (0.46) POLBGLAKDM4EHCAR1MEN1
SCHEMBL13522482 0.76 HSD17B10 (0.51) GAAHSD17B10KDM4EMEN1KMT2A
SCHEMBL4044632 0.76 KMT2A (0.44) POLBESR1MEN1KMT2AMAOA
SCHEMBL21388702 0.75 ALDH1A1 (0.40) POLBGLAKDM4EALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2010165-A2 ABNORMAL CANNABIDIOLS AS AGENTS FOR LOWERING INTRAOCULAR PRESSURE Allergan, Inc. (US) 2009-01-07 EP claimed
WO-2007127711-A2 ABNORMAL CANNABIDIOLS AS AGENTS FOR LOWERING INTRAOCULAR PRESSURE ALLERGAN, INC. (US) 2007-11-08 WO claimed
US-20070249596-A1 ABNORMAL CANNABIDIOLS AS AGENTS FOR LOWERING INTRAOCULAR PRESSURE ALLERGAN, INC. 2007-10-25 US claimed
EP-2123264-A1 Heterocyclic derivatives as abnormal cannabidiols agents for lowering intraocular pressure Allergan, Inc. (US) 2009-11-25 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-20070249596-A1 ABNORMAL CANNABIDIOLS AS AGENTS FOR LOWERING INTRAOCULAR PRESSURE CNR2, CNR1, PTGIR POLB 3919/4885GLA 1302/4885GAA 4363/4885

“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.