SCHEMBL996546

SCHEMBL996546

CC(C)CCC[C@H](C)CCBr

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.68
BLM P54132 1/20 0.48
PTPN1 P18031 3/20 0.42
MEN1 O00255 1/20 0.42
CYP3A4 P08684 1/20 0.42
ALOX15 P16050 1/20 0.42
KMT2A Q03164 1/20 0.42
PTPN2 P17706 1/20 0.32
CDC25B P30305 1/20 0.32
FNTA P49354 1/20 0.31
PGGT1B P53609 1/20 0.31

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
SCHEMBL6757747 1.00 LMNA (0.68) LMNABLMPTPN1MEN1CYP3A4
SCHEMBL996547 1.00 LMNA (0.68) LMNABLMPTPN1MEN1CYP3A4
SCHEMBL95650 1.00 LMNA (0.68) LMNABLMPTPN1MEN1CYP3A4
SCHEMBL2735605 1.00 LMNA (0.68) LMNABLMPTPN1MEN1CYP3A4
SCHEMBL10405962 1.00 LMNA (0.68) LMNABLMPTPN1MEN1CYP3A4
SCHEMBL95535 1.00 LMNA (0.68) LMNABLMPTPN1MEN1CYP3A4
SCHEMBL14658031 0.97 LMNA (0.65) LMNABLMPTPN1MEN1CYP3A4
SCHEMBL16690502 0.92 LMNA (0.65) LMNABLMPTPN1MEN1CYP3A4
SCHEMBL10844984 0.89 LMNA (0.68) LMNABLMPTPN1MEN1CYP3A4
SCHEMBL10535023 0.89 LMNA (0.68) LMNABLMPTPN1MEN1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9018397-B2 Pyrrolopyrrole derivatives, their manufacture and use BASF SE (DE) 2015-04-28 US disclosed
US-9018397-B2 Pyrrolopyrrole derivatives, their manufacture and use BASF SE (DE) 2015-04-28 US disclosed
EP-2209788-B1 PYRROLOPYRROLE DERIVATIVES, THEIR MANUFACTURE AND USE BASF SE (DE) 2013-09-04 EP disclosed
US-20130172575-A1 Pyrrolopyrrole derivatives, their manufacture and use BASF SE (DE) 2013-07-04 US disclosed
US-20130172575-A1 Pyrrolopyrrole derivatives, their manufacture and use BASF SE (DE) 2013-07-04 US disclosed
US-8404864-B2 Pyrrolopyrrole derivatives, their manufacture and use BASF SE (DE) 2013-03-26 US disclosed
US-8404864-B2 Pyrrolopyrrole derivatives, their manufacture and use BASF SE (DE) 2013-03-26 US disclosed
US-20110015397-A1 Selective Aliphatic C-H Oxidation THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2011-01-20 US disclosed
US-20110004004-A1 PYRROLOPYRROLE DERIVATIVES, THEIR MANUFACTURE AND USE BASF SE (DE) 2011-01-06 US disclosed
US-20110004004-A1 PYRROLOPYRROLE DERIVATIVES, THEIR MANUFACTURE AND USE BASF SE (DE) 2011-01-06 US disclosed
US-7829342-B2 composition including a complex of a metal, a tetradentate ligand, at least one ancillary ligand, and a counterion is used for selective sp3 C H bond oxidation; includes a N-heterocyclic-N,N'-bis(pyridyl)-ethane-1,2-diamine group or a N,N'-bis(heterocyclic)-N,N'-bis(pyridyl)-ethane-1,2-diamine group THE BOARD OF TRUSTEES OF THE UNIVERSIY OF ILLINOIS (US) 2010-11-09 US disclosed
US-20090221083-A1 Selective Aliphatic C-H Oxidation BOARD OF TRUSTEES OF UNIVERSITY OF ILLINOIS (US) 2009-09-03 US disclosed
WO-2009047104-A2 PYRROLOPYRROLE DERIVATIVES, THEIR MANUFACTURE AND USE BASF SE (CH) 2009-04-16 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 (3 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-20110015397-A1 Selective Aliphatic C-H Oxidation AOC3, SOD3, AP3S1 LMNA 1882/4885BLM 3998/4885PTPN1 1257/4885
US-20090221083-A1 Selective Aliphatic C-H Oxidation AOC3, SOD3, AP3S1 LMNA 1882/4885BLM 3998/4885PTPN1 1257/4885
US-20110004004-A1 PYRROLOPYRROLE DERIVATIVES, THEIR MANUFACTURE AND USE PPOX, PIN1, DDT LMNA 3319/4885BLM 2945/4885PTPN1 170/4885

“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.