SCHEMBL6335488

SCHEMBL6335488

CC#CCOC1CCCCO1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
KDM4C Q9H3R0 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
GRM5 P41594 1/20 0.33
GCK P35557 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL10576592 0.88 MEN1 (0.38) MEN1KMT2AKDM4CNPC1RAB9A
SCHEMBL1004656 0.84 KDM4C (0.36) MEN1KMT2AKDM4CNPC1RAB9A
SCHEMBL1227411 0.84 MEN1 (0.34) MEN1KMT2AKDM4CNPC1RAB9A
SCHEMBL11813613 0.83 MEN1 (0.35) MEN1KMT2AKDM4CNPC1RAB9A
SCHEMBL2989785 0.83 MEN1 (0.35) MEN1KMT2AKDM4CNPC1RAB9A
SCHEMBL12435177 0.82 MEN1 (0.39) MEN1KMT2AKDM4CNPC1RAB9A
SCHEMBL10679266 0.81 MEN1 (0.35) MEN1KMT2AKDM4CNPC1RAB9A
SCHEMBL3397472 0.81 MEN1 (0.35) MEN1KMT2AKDM4CNPC1RAB9A
SCHEMBL9198299 0.81 MEN1 (0.35) MEN1KMT2AKDM4CNPC1RAB9A
SCHEMBL7533743 0.81 MEN1 (0.35) MEN1KMT2AKDM4CNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8580751-B2 Esterified α-galactosylceramide RIKEN (JP) 2013-11-12 US disclosed
US-20110224158-A1 ESTERIFIED ALPHA-GALACTOSYLCERAMIDE RIKEN (JP) 2011-09-15 US disclosed
US-20050085509-A1 Piperidin-2-one derivative compounds and drugs containing these compounds as the active ingredient ONO PHARMACEUTICAL CO. LTD. (JP) 2005-04-21 US disclosed
EP-1447401-A1 PIPERIDIN-2-ONE DERIVATIVE COMPOUNDS AND DRUGS CONTAINING THESE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2004-08-18 EP disclosed
US-20040082556-A1 Inhibitors of type 5 and type 3 17beta-hydroxysteroid dehydrogenase and methods for their use ENDORECHERCHE, INC. 2004-04-29 US disclosed
EP-1321146-A2 Inhibitors of type 5 and 3 17beta-hydroxysteroid dehydrogenase and methods for their use Endorecherche Inc. (CA) 2003-06-25 EP disclosed
US-6541463-B1 17-spirolactone derivatives of steroids ENDORECHERCHE, INC. (CA) 2003-04-01 US disclosed
EP-1102582-A2 INHIBITORS OF TYPE 3 3ALPHA-HYDROXYSTEROID DEHYDROGENASE Endorecherche Inc. (CA) 2001-05-30 EP disclosed
EP-1094798-A2 INHIBITORS OF TYPE 5 AND TYPE 3 17beta-HYDROXYSTEROID DEHYDROGENASE AND METHODS FOR THEIR USE Endorecherche Inc. (CA) 2001-05-02 EP disclosed
US-6037367-A Substituted-pent-4-ynoic acids SMITHKLINE BEECHAM CORPORATION (US) 2000-03-14 US disclosed
WO-2000007576-A2 INHIBITORS OF TYPE 3 3α-HYDROSTEROID DEHYDROGENASE ENDORECHERCHE, INC. (CA) 2000-02-17 WO disclosed
WO-1999046279-A2 INHIBITORS OF TYPE 5 AND TYPE 3 17β-HYDROXYSTEROID DEHYDROGENASE AND METHODS FOR THEIR USE ENDORECHERCHE, INC. (CA) 1999-09-16 WO disclosed
EP-0827495-A4 SUBSTITUTED-PENT-4-YNOIC ACIDS SMITHKLINE BEECHAM CORP (US) 1998-11-04 EP disclosed
EP-0827495-A1 SUBSTITUTED-PENT-4-YNOIC ACIDS SMITHKLINE BEECHAM CORPORATION (US) 1998-03-11 EP disclosed
WO-1997003945-A1 SUBSTITUTED-PENT-4-YNOIC ACIDS SMITHKLINE BEECHAM CORPORATION (US) 1997-02-06 WO disclosed
US-5350765-A Treatment of allergic and inflammatory diseases ABBOTT LABORATORIES (US) 1994-09-27 US disclosed
WO-1994004528-A1 ETHER-CONTAINING INHIBITORS OF 5-LIPOXYGENASE ABBOTT LABORATORIES (US) 1994-03-03 WO disclosed
US-5268379-A Quinolin-1-one structure ABBOTT LABORATORIES (US) 1993-12-07 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 (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-20040082556-A1 Inhibitors of type 5 and type 3 17beta-hydroxysteroid dehydrogenase and methods for their use HSD17B11, HSD17B3, HSD17B1 MEN1 1907/4885KMT2A 3178/4885KDM4C 3015/4885
US-20050085509-A1 Piperidin-2-one derivative compounds and drugs containing these compounds as the active ingredient MAPKAP1, MAPK1, MAPK8 MEN1 205/4885KMT2A 2311/4885KDM4C 4295/4885
US-20110224158-A1 ESTERIFIED ALPHA-GALACTOSYLCERAMIDE GBA1, UGCG, MAN2B1 MEN1 831/4885KMT2A 1251/4885KDM4C 1604/4885

“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.