SCHEMBL829484

SCHEMBL829484

O=C(NCC1CCCCC1)Oc1ccc2ccccc2c1Br

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NCEH1 Q6PIU2 6/20 0.62
RAB9A P51151 4/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
NPC1 O15118 3/20 0.53
HPGD P15428 3/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
HTT P42858 1/20 0.53
MAPT P10636 1/20 0.51
RXFP1 Q9HBX9 1/20 0.47
EPHX1 P07099 2/20 0.46

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
SCHEMBL829421 0.86 NCEH1 (0.53) NCEH1SMN1; SMN2RXFP1
SCHEMBL14470481 0.76 EPHX1 (0.65) SMN1; SMN2NPC1EPHX1
SCHEMBL829483 0.75 NCEH1 (0.66) NCEH1RAB9ASMN1; SMN2NPC1HPGD
SCHEMBL8392988 0.74 ALDH1A1 (0.64) RAB9ASMN1; SMN2NPC1HPGDHTT
SCHEMBL8395670 0.74 ALDH1A1 (0.64) RAB9ASMN1; SMN2NPC1HPGDHTT
SCHEMBL9461062 0.74 EPHX1 (0.51) RAB9ASMN1; SMN2HPGDHTTEPHX1
SCHEMBL4190698 0.74 ALDH1A1 (0.55) SMN1; SMN2NPC1HPGDMAPTEPHX1
SCHEMBL21089019 0.72 ALDH1A1 (0.46) RAB9ASMN1; SMN2NPC1HPGDCYP2C19
SCHEMBL8396460 0.72 ALDH1A1 (0.66) RAB9ASMN1; SMN2NPC1HPGDHTT
SCHEMBL4785081 0.71 HPGD (0.64) RAB9ASMN1; SMN2NPC1HPGDCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 3211/4885RAB9A 3160/4885SMN1; SMN2 4842/4885

“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.