SCHEMBL829537

SCHEMBL829537

O=C(Oc1ccc2ccccc2c1Br)N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCEH1 Q6PIU2 2/20 0.65
NPC1 O15118 3/20 0.64
RAB9A P51151 3/20 0.64
SMN1; SMN2 Q16637 3/20 0.64
HPGD P15428 2/20 0.64
CYP1A2 P05177 1/20 0.64
CYP3A4 P08684 1/20 0.64
CYP2C9 P11712 1/20 0.64
CYP2C19 P33261 1/20 0.64
HTT P42858 1/20 0.64
NPY2R P49146 9/20 0.56
LMNA P02545 2/20 0.50
TP53 P04637 2/20 0.50
ALDH1A1 P00352 2/20 0.50
POLB P06746 1/20 0.50
CASP3 P42574 1/20 0.49
SENP8 Q96LD8 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SENP6 Q9GZR1 1/20 0.49
TDP1 Q9NUW8 1/20 0.49

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
SCHEMBL829153 0.87 NPY2R (0.66) NCEH1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL829960 0.82 NCEH1 (0.74) NCEH1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL828762 0.81 NPY2R (0.64) NCEH1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL829938 0.79 NCEH1 (0.67) NCEH1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL830790 0.79 NCEH1 (0.78) NCEH1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL830062 0.79 RAB9A (1.00) NCEH1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL829045 0.78 ALDH1A1 (0.50) CYP2C9CYP2C19HTTNPY2RLMNA
SCHEMBL828878 0.74 NCEH1 (0.70) NCEH1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL828885 0.72 NCEH1 (0.67) NCEH1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL15919661 0.72 NPY2R (1.00) NPY2RLMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080261956-A1 Substituted Phenols as Active Agents Inhibiting Vegf Production PTC THERAPEUTICS, INC. 2008-10-23 US claimed
EP-1828195-A2 SUBSTITUTED PHENOLS AS ACTIVE AGENTS INHIBITING VEGF PRODUCTION PTC Therapeutics, Inc. (US) 2007-09-05 EP claimed
WO-2006065479-A2 SUBSTITUTED PHENOLS AS ACTIVE AGENTS INHIBITING VEGF PRODUCTION PTC THERAPEUTICS, INC. (US) 2006-06-22 WO claimed
US-8143257-B2 inhibiting angiogenesis; cancer, diabetic retinopathy, rheumatoid arthritis, psoriasis, atherosclerosis, obesity, chronic inflammation or exudative macular degeneration; 4-(Hydroxy-diphenyl-methyl)-piperidine-1-carboxylic acid 1-bromo-naphthalen-2-yl ester PTC THERAPEUTICS, INC. (US) 2012-03-27 US disclosed
US-8143257-B2 inhibiting angiogenesis; cancer, diabetic retinopathy, rheumatoid arthritis, psoriasis, atherosclerosis, obesity, chronic inflammation or exudative macular degeneration; 4-(Hydroxy-diphenyl-methyl)-piperidine-1-carboxylic acid 1-bromo-naphthalen-2-yl ester PTC THERAPEUTICS, INC. (US) 2012-03-27 US disclosed
US-8143257-B2 inhibiting angiogenesis; cancer, diabetic retinopathy, rheumatoid arthritis, psoriasis, atherosclerosis, obesity, chronic inflammation or exudative macular degeneration; 4-(Hydroxy-diphenyl-methyl)-piperidine-1-carboxylic acid 1-bromo-naphthalen-2-yl ester PTC THERAPEUTICS, INC. (US) 2012-03-27 US disclosed
US-20080261956-A1 Substituted Phenols as Active Agents Inhibiting Vegf Production PTC THERAPEUTICS, INC. 2008-10-23 US disclosed
US-20080261956-A1 Substituted Phenols as Active Agents Inhibiting Vegf Production PTC THERAPEUTICS, INC. 2008-10-23 US disclosed
US-20080261956-A1 Substituted Phenols as Active Agents Inhibiting Vegf Production PTC THERAPEUTICS, INC. 2008-10-23 US disclosed
EP-1828195-A2 SUBSTITUTED PHENOLS AS ACTIVE AGENTS INHIBITING VEGF PRODUCTION PTC Therapeutics, Inc. (US) 2007-09-05 EP disclosed
WO-2006065479-A2 SUBSTITUTED PHENOLS AS ACTIVE AGENTS INHIBITING VEGF PRODUCTION PTC THERAPEUTICS, INC. (US) 2006-06-22 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-20080261956-A1 Substituted Phenols as Active Agents Inhibiting Vegf Production VEGFA, FLT4, FLT1 NCEH1 3211/4885NPC1 3721/4885RAB9A 3160/4885

“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.