SCHEMBL1750445

SCHEMBL1750445

COc1cnn(-c2cc(Cl)ccc2Cl)c(=O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 12/20 0.44
MCHR1 Q99705 7/20 0.44
SMN1; SMN2 Q16637 4/20 0.43
HTT P42858 3/20 0.43
MAPT P10636 3/20 0.43
NPC1 O15118 2/20 0.43
ALDH1A1 P00352 2/20 0.43
RAB9A P51151 2/20 0.43
S1PR4 O95977 1/20 0.43
S1PR1 P21453 1/20 0.43
KMT2A Q03164 1/20 0.43
PAX8 Q06710 1/20 0.43
NPSR1 Q6W5P4 3/20 0.42
LMNA P02545 2/20 0.42
OPRK1 P41145 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
OPRM1 P35372 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
SCHEMBL4064696 0.81 HTT (0.46) HTTMAPTNPC1ALDH1A1RAB9A
SCHEMBL1750717 0.78 HTT (0.43) HTTMAPTALDH1A1KMT2ANPSR1
SCHEMBL1751014 0.77 NPBWR1 (0.56) NPBWR1MCHR1SMN1; SMN2HTTMAPT
SCHEMBL1749799 0.74 RAB9A (0.54) NPBWR1MCHR1SMN1; SMN2HTTMAPT
SCHEMBL11724179 0.71 HTT (0.54) SMN1; SMN2HTTMAPTNPC1ALDH1A1
SCHEMBL4063236 0.69 HTT (0.43) NPBWR1MCHR1SMN1; SMN2HTTMAPT
SCHEMBL1750412 0.68 MAPT (0.50) SMN1; SMN2HTTMAPTNPC1ALDH1A1
SCHEMBL11734120 0.66 KMT2A (0.50) SMN1; SMN2HTTMAPTNPC1ALDH1A1
SCHEMBL2553097 0.66 TDP1 (0.44) HTTMAPTALDH1A1KMT2ANPSR1
SCHEMBL1751055 0.66 ESR1 (0.42) SMN1; SMN2HTTMAPTNPC1ALDH1A1

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-20110269715-A1 ABNORMAL CANNABIDIOLS AS AGENTS FOR LOWERING INTRAOCULAR PRESSURE ALLERGAN, INC. 2011-11-03 US claimed
US-7968711-B2 Isoprenyl-3-methylcyclohex-2-enyl)benzene-1,3-diol, 2-(3,5-Difluorophenyl)-5-hydroxypyridazin-3-one, 4-Bromo-2-(2,5-dichlorophenyl)-5-hydroxypyridazin-3-one; glaucoma or ocular hypertension ALLERGAN, INC. (US) 2011-06-28 US claimed
US-20110269715-A1 ABNORMAL CANNABIDIOLS AS AGENTS FOR LOWERING INTRAOCULAR PRESSURE ALLERGAN, INC. 2011-11-03 US disclosed
US-7968711-B2 Isoprenyl-3-methylcyclohex-2-enyl)benzene-1,3-diol, 2-(3,5-Difluorophenyl)-5-hydroxypyridazin-3-one, 4-Bromo-2-(2,5-dichlorophenyl)-5-hydroxypyridazin-3-one; glaucoma or ocular hypertension ALLERGAN, INC. (US) 2011-06-28 US disclosed
EP-2123264-A1 Heterocyclic derivatives as abnormal cannabidiols agents for lowering intraocular pressure Allergan, Inc. (US) 2009-11-25 EP disclosed
EP-2010165-A2 ABNORMAL CANNABIDIOLS AS AGENTS FOR LOWERING INTRAOCULAR PRESSURE Allergan, Inc. (US) 2009-01-07 EP disclosed
WO-2007127711-A2 ABNORMAL CANNABIDIOLS AS AGENTS FOR LOWERING INTRAOCULAR PRESSURE ALLERGAN, INC. (US) 2007-11-08 WO disclosed
US-20070249596-A1 ABNORMAL CANNABIDIOLS AS AGENTS FOR LOWERING INTRAOCULAR PRESSURE 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 (2 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 NPBWR1 414/4885MCHR1 507/4885SMN1; SMN2 4837/4885
US-20110269715-A1 ABNORMAL CANNABIDIOLS AS AGENTS FOR LOWERING INTRAOCULAR PRESSURE CNR2, CNR1, PTGIR NPBWR1 414/4885MCHR1 507/4885SMN1; SMN2 4837/4885

“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.