SCHEMBL829045

SCHEMBL829045

O=C(Nc1ccc2ccccc2c1Br)N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.50
KDM4E B2RXH2 7/20 0.47
GLA P06280 1/20 0.47
LMNA P02545 2/20 0.47
HSD17B10 Q99714 4/20 0.46
TSHR P16473 1/20 0.46
HTT P42858 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
RECQL P46063 1/20 0.45
POLB P06746 1/20 0.44
NPY2R P49146 6/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 1/20 0.43
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
USP2 O75604 1/20 0.42
ALOX15 P16050 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL829538 0.87 ALDH1A1 (0.50) ALDH1A1KDM4ELMNAHSD17B10TSHR
SCHEMBL829549 0.79 FAAH (0.61) ALDH1A1KDM4ELMNAHSD17B10POLB
SCHEMBL829713 0.79 RAB9A (0.56) ALDH1A1KDM4EHSD17B10TSHRHTT
SCHEMBL829537 0.78 NCEH1 (0.65) ALDH1A1KDM4EGLALMNAHTT
SCHEMBL15920160 0.77 HTT (0.66) ALDH1A1KDM4ELMNAHTTNPSR1
SCHEMBL829706 0.77 KDM4E (0.73) ALDH1A1KDM4EGLALMNAHSD17B10
SCHEMBL15919997 0.73 LMNA (0.67) ALDH1A1LMNAPOLBNPY2RMEN1
SCHEMBL830344 0.72 KDM4E (0.57) ALDH1A1KDM4EHSD17B10TSHRHTT
SCHEMBL15919999 0.72 FAAH (0.61) ALDH1A1LMNATSHRHTTNPSR1
SCHEMBL5112838 0.71 ALDH1A1 (0.74) ALDH1A1KDM4EGLALMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 ALDH1A1 936/4885KDM4E 358/4885GLA 417/4885

“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.