SCHEMBL939342

SCHEMBL939342

CC(C)(C=O)COC1CCCCO1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4C Q9H3R0 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL2141074 0.80 MEN1 (0.46) MEN1KMT2AKDM4CNPC1RAB9A
SCHEMBL15457456 0.80 MEN1 (0.37) MEN1KMT2AKDM4CNPC1RAB9A
SCHEMBL3348688 0.79 MEN1 (0.40) MEN1KMT2A
SCHEMBL3348695 0.79 MEN1 (0.40) MEN1KMT2A
SCHEMBL2305844 0.78 MEN1 (0.33) MEN1KMT2AKDM4CNPC1RAB9A
SCHEMBL20236830 0.77 MEN1 (0.35) MEN1KMT2AKDM4CNPC1RAB9A
SCHEMBL11634891 0.77 MEN1 (0.38) MEN1KMT2AKDM4CNPC1RAB9A
SCHEMBL22488305 0.77 MEN1 (0.38) MEN1KMT2AKDM4CNPC1RAB9A
SCHEMBL22468403 0.77 MEN1 (0.38) MEN1KMT2AKDM4CNPC1RAB9A
SCHEMBL17674778 0.77 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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140030223-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. (US) 2014-01-30 US disclosed
US-20140030223-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. (US) 2014-01-30 US disclosed
US-20140030223-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. (US) 2014-01-30 US disclosed
US-20130338141-A1 HIV INTEGRASE INHIBITORS ISAACS RICHARD C (US) 2013-12-19 US disclosed
US-8569302-B2 Inhibitors of flaviviridae viruses GILEAD SCIENCES, INC. (US) 2013-10-29 US disclosed
US-8569302-B2 Inhibitors of flaviviridae viruses GILEAD SCIENCES, INC. (US) 2013-10-29 US disclosed
US-8569302-B2 Inhibitors of flaviviridae viruses GILEAD SCIENCES, INC. (US) 2013-10-29 US disclosed
US-8513234-B2 HIV integrase inhibitors MERCK SHARP & DOHME CORP. (US) 2013-08-20 US disclosed
US-8513234-B2 HIV integrase inhibitors MERCK SHARP & DOHME CORP. (US) 2013-08-20 US disclosed
US-8513234-B2 HIV integrase inhibitors MERCK SHARP & DOHME CORP. (US) 2013-08-20 US disclosed
WO-2011011303-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. (US) 2011-01-27 WO disclosed
WO-2010042392-A2 HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2010-04-15 WO disclosed
WO-2010042391-A2 HIV INTEGRASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2010-04-15 WO disclosed
WO-2010042392-A2 HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2010-04-15 WO disclosed
WO-2010042391-A2 HIV INTEGRASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2010-04-15 WO disclosed
US-20100087419-A1 HIV INTEGRASE INHIBITORS MERCK SHARP & DOHME LLC 2010-04-08 US disclosed
US-20100087419-A1 HIV INTEGRASE INHIBITORS MERCK SHARP & DOHME LLC 2010-04-08 US disclosed
US-20100087419-A1 HIV INTEGRASE INHIBITORS MERCK SHARP & DOHME LLC 2010-04-08 US disclosed
US-4434101-A SLOW REACTING SUBSTANCE OF ANAPHYLAXIS, ANTIALLERGENS HOFFMANN-LA ROCHE INC. (US) 1984-02-28 US disclosed
US-4432906-A ANTIALLERGENS, BRONCHODILATOR HOFFMANN-LA ROCHE INC. (US) 1984-02-21 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-20130338141-A1 HIV INTEGRASE INHIBITORS POLB, CCNB1, POLR2A MEN1 3763/4885KMT2A 1215/4885KDM4C 1772/4885
US-20140030223-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES HAVCR2, CYP2F1, CYP4F3 MEN1 4324/4885KMT2A 3967/4885KDM4C 2149/4885
US-20100087419-A1 HIV INTEGRASE INHIBITORS POLB, CCNB1, POLR2A MEN1 3763/4885KMT2A 1215/4885KDM4C 1772/4885

“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.