SCHEMBL830130

SCHEMBL830130

Cc1ccc(OC(=O)N2CCCC2)c(Br)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 9/20 0.63
NPC1 O15118 5/20 0.63
RAB9A P51151 5/20 0.63
HPGD P15428 3/20 0.63
GAA P10253 2/20 0.63
TSHR P16473 2/20 0.63
L3MBTL1 Q9Y468 3/20 0.50
NCEH1 Q6PIU2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
HTT P42858 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
POLB P06746 2/20 0.47
LMNA P02545 4/20 0.47
TDP1 Q9NUW8 3/20 0.47

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
SCHEMBL830050 0.89 SMN1; SMN2 (0.60) SMN1; SMN2NPC1RAB9AHPGDGAA
SCHEMBL829614 0.86 ALDH1A1 (0.55) SMN1; SMN2NPC1RAB9AHPGDGAA
SCHEMBL830404 0.80 SMN1; SMN2 (0.45) SMN1; SMN2NPC1RAB9AHPGDGAA
SCHEMBL829010 0.80 GAA (0.48) SMN1; SMN2NPC1RAB9AHPGDGAA
SCHEMBL829584 0.78 FAAH (0.53) L3MBTL1ALDH1A1CYP2C9CYP2C19KDM4E
SCHEMBL27814987 0.78 ALDH1A1 (0.65) SMN1; SMN2NPC1RAB9AHPGDGAA
SCHEMBL829466 0.78 SMN1; SMN2 (0.65) SMN1; SMN2NPC1RAB9AHPGDGAA
SCHEMBL830113 0.77 TSHR (0.45) SMN1; SMN2NPC1RAB9AHPGDGAA
SCHEMBL31591187 0.77 GLA (0.60) SMN1; SMN2GAAL3MBTL1ALDH1A1KDM4E
SCHEMBL829196 0.76 SMN1; SMN2 (0.63) SMN1; SMN2NPC1RAB9AHPGDGAA

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 SMN1; SMN2 4842/4885NPC1 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.