SCHEMBL1125330

SCHEMBL1125330

O=CCC(=O)c1ccccc1Br

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.47
HPGD P15428 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HSD17B10 Q99714 1/20 0.47
KDM4E B2RXH2 2/20 0.44
LMNA P02545 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ATM Q13315 1/20 0.40
PTPN1 P18031 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HTT P42858 1/20 0.39
ELANE P08246 1/20 0.39

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
Alcohol SCHEMBL27745126 0.93 ALDH1A1 (0.43) ALDH1A1HPGDSMN1; SMN2HSD17B10KDM4E
SCHEMBL8523544 0.82 ALDH1A1 (0.46) ALDH1A1HPGDSMN1; SMN2HSD17B10KDM4E
SCHEMBL29062394 0.81 ALDH1A1 (0.45) ALDH1A1HPGDSMN1; SMN2HSD17B10KDM4E
SCHEMBL30089542 0.79 ALDH1A1 (0.53) ALDH1A1HPGDSMN1; SMN2HSD17B10KDM4E
SCHEMBL28053559 0.79 ALDH1A1 (0.53) ALDH1A1HPGDSMN1; SMN2HSD17B10KDM4E
SCHEMBL15979732 0.79 ALDH1A1 (0.53) ALDH1A1HPGDSMN1; SMN2HSD17B10KDM4E
SCHEMBL30730520 0.78 KDM4E (0.50) ALDH1A1HPGDSMN1; SMN2HSD17B10KDM4E
SCHEMBL2556609 0.78 KDM4E (0.50) ALDH1A1HPGDSMN1; SMN2HSD17B10KDM4E
SCHEMBL166468 0.77 PTPN1 (0.57) ALDH1A1HPGDSMN1; SMN2HSD17B10KDM4E
SCHEMBL3703924 0.77 ALDH1A1 (0.51) ALDH1A1HPGDSMN1; SMN2HSD17B10KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101417937-B Beta-aldehyde ketones antibacterial compounds and use thereof UNIV SUN YAT SEN 2013-05-29 CN claimed
CN-101417937-A Beta-aldehyde ketones antibacterial compounds and use thereof UNIV ZHONGSHAN (CN) 2009-04-29 CN claimed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 US disclosed
CN-101417937-B Beta-aldehyde ketones antibacterial compounds and use thereof UNIV SUN YAT SEN 2013-05-29 CN disclosed
EP-2558577-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2013-02-20 EP disclosed
WO-2011127933-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2011-10-20 WO disclosed
EP-2284157-A1 Quinolines useful in treating cardiovascular disease Wyeth (US) 2011-02-16 EP disclosed
US-7576215-B2 Quinolines and pharmaceutical compositions thereof WYETH (US) 2009-08-18 US disclosed
CN-101417937-A Beta-aldehyde ketones antibacterial compounds and use thereof UNIV ZHONGSHAN (CN) 2009-04-29 CN disclosed
CN-1914173-A Quinolines useful in treating cardiovascular disease WYETH CORP (US) 2007-02-14 CN disclosed
EP-1692111-A2 QUINOLINES USEFUL IN TREATING CARDIOVASCULAR DISEASE Wyeth, A Corporation of the State of Delaware (US) 2006-08-23 EP disclosed
WO-2005058834-A2 QUINOLINES USEFUL IN TREATING CARDIOVASCULAR DISEASE WYETH (US) 2005-06-30 WO disclosed
US-20050131014-A1 Quinolines useful in treating cardiovascular disease WYETH (US) 2005-06-16 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-20050131014-A1 Quinolines useful in treating cardiovascular disease NR1H2, NR1H3, SREBF1 ALDH1A1 1202/4885HPGD 545/4885SMN1; SMN2 4482/4885

“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.