SCHEMBL6041838

SCHEMBL6041838

COc1c(CBr)ccc2ccccc12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MAPK1 P28482 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MAPT P10636 1/20 0.44
POLB P06746 1/20 0.41
HPGD P15428 1/20 0.41
CYP1A1 P04798 1/20 0.40
CYP1B1 Q16678 1/20 0.40
PRMT5 O14744 1/20 0.40
WDR77 Q9BQA1 1/20 0.40
CYP2A6 P11509 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ERN1 O75460 1/20 0.38
LMNA P02545 1/20 0.38
RAB9A P51151 1/20 0.37
ABCC1 P33527 1/20 0.37
ABCG2 Q9UNQ0 1/20 0.37

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
SCHEMBL28740512 0.86 MAPT (0.46) ALDH1A1KDM4EMAPK1SMN1; SMN2MAPT
SCHEMBL8814573 0.85 ALDH1A1 (0.48) ALDH1A1KDM4EMAPK1SMN1; SMN2MAPT
SCHEMBL30490817 0.83 KDM4E (0.46) ALDH1A1KDM4EMAPK1SMN1; SMN2MAPT
SCHEMBL5963023 0.83 ALDH1A1 (0.46) ALDH1A1KDM4EMAPK1SMN1; SMN2MAPT
SCHEMBL14064624 0.83 KDM4E (0.46) ALDH1A1KDM4EMAPK1SMN1; SMN2MAPT
SCHEMBL30725599 0.81 ALDH1A1 (0.45) ALDH1A1KDM4EMAPK1SMN1; SMN2MAPT
SCHEMBL15345444 0.81 ALDH1A1 (0.45) ALDH1A1KDM4EMAPK1SMN1; SMN2MAPT
SCHEMBL8409905 0.81 ALDH1A1 (0.45) ALDH1A1KDM4EMAPK1SMN1; SMN2MAPT
SCHEMBL9170451 0.80 SLC2A1 (0.45) ALDH1A1KDM4EMAPK1SMN1; SMN2MAPT
SCHEMBL28975613 0.79 TAAR1 (0.49) ALDH1A1KDM4EMAPK1SMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060079533-A1 Methods of treating alzheimer's disease NIEMAN JAMES A 2006-04-13 US disclosed
EP-0863875-B1 NEW 4-(OXYALKOXYPHENYL)-3-OXY-PIPERIDINES FOR TREATING HEART AND KIDNEY INSUFFICIENCY HOFFMANN LA ROCHE (CH) 2003-06-04 EP disclosed
WO-2002076440-A2 METHODS OF TREATING ALZHEIMER'S DISEASE WITH PIPERIDIN DERIVATES ELAN PHARMACEUTICALS, INC. (US) 2002-10-03 WO disclosed
US-6150526-A Piperidine derivative having renin inhibiting activity HOFFMANN-LA ROCHE INC. (US) 2000-11-21 US disclosed
US-6051712-A PREVENTION OF HIGH BLOOD PRESSURE AND CARDIAC INSUFFICIENCY, AS WELL AS GLAUCOMA, CARDIAC INFARCT, KIDNEY INSUFFICIENCY AND RESTENOSIS HOFFMANN-LA ROCHE INC. (US) 2000-04-18 US disclosed
EP-0863875-A1 NEW 4-(OXYALKOXYPHENYL)-3-OXY-PIPERIDINES FOR TREATING HEART AND KIDNEY INSUFFICIENCY F. HOFFMANN-LA ROCHE AG (CH) 1998-09-16 EP disclosed
WO-1997009311-A1 NEW 4-(OXYALKOXYPHENYL)-3-OXY-PIPERIDINES FOR TREATING HEART AND KIDNEY INSUFFICIENCY F. HOFFMANN-LA ROCHE AG (CH) 1997-03-13 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-20060079533-A1 Methods of treating alzheimer's disease BACE1, PSEN1, PSEN2 ALDH1A1 2504/4885KDM4E 2501/4885MAPK1 4624/4885

“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.