SCHEMBL363048

SCHEMBL363048

CC(C)([C]=O)CC(=O)C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.31
HMGCR P04035 1/20 0.31
CHRM1 P11229 1/20 0.31
TBXA2R P21731 1/20 0.31
ADRA1A P35348 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
SCHEMBL6151160 0.80 FAAH (0.37) KMT2A
SCHEMBL3246784 0.80
SCHEMBL23424122 0.77 HMGCR (0.36) KMT2AHMGCRCHRM1TBXA2RADRA1A
SCHEMBL17445678 0.77 KMT2A (0.30) KMT2A
SCHEMBL116713 0.76
SCHEMBL7346515 0.76
SCHEMBL8011357 0.74
SCHEMBL18420497 0.73 THRB (0.31)
SCHEMBL7323593 0.73
SCHEMBL16208243 0.72

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9790203-B2 Inhibitor compounds of phosphodiesterase type 10A ABBVIE INC. (US) 2017-10-17 US disclosed
US-9597327-B2 Synthesis of (R)-N-methylnaltrexone PROGENICS PHARMACEUTICALS, INC. (US) 2017-03-21 US disclosed
US-9475808-B2 Inhibitor compounds of phosphodiesterase type 10A AbbVie Deutschland GmbH & Co. KG (DE) 2016-10-25 US disclosed
US-20160137668-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A AbbVie Deutschland GmbH & Co. KG (DE) 2016-05-19 US disclosed
US-20160002231-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A ABBVIE INC. 2016-01-07 US disclosed
US-20150290187-A1 SYNTHESIS OF (R)-N-METHYLNALTREXONE Progenics Pharmaceuticals., Inc. 2015-10-15 US disclosed
US-9156771-B2 Process for the preparation of enolate salts of 4-fluoro-2-hydroxymethylene-3 oxo-butyrates LONZA LTD (CH) 2015-10-13 US disclosed
US-9090592-B2 Heterocyclic compounds and their use as glycogen synthase kinase-3 inhibitors AbbVie Deutschland GmbH & Co. KG (DE) 2015-07-28 US disclosed
US-20140148461-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A AbbVie Deutschland GmbH & Co. KG (DE) 2014-05-29 US disclosed
US-20130338394-A1 PROCESS FOR THE PREPARATION OF ENOLATE SALTS OF 4-FLUORO-2-HYDROXYMETHYLENE-3 OXO-BUTYRATES LONZA LTD. (CH) 2013-12-19 US disclosed
US-20100016319-A1 ARYLMETHYLENE UREA DERIVATIVE AND USE THEREOF TORAY INDUSTRIES, INC. A CORPORATION OF JAPAN (JP) 2010-01-21 US disclosed
US-20090268290-A1 THERMOPLASTIC RESIN FILM AND METHOD FOR PRODUCING THEREOF FUJIFILM CORPORATION (JP) 2009-10-29 US disclosed
US-20090169810-A1 THERMOPLASTIC FILM AND METHOD FOR PRODUCING THEREOF FUJIFILM CORPORATION (JP) 2009-07-02 US disclosed
EP-1970375-A1 ARYLMETHYLENE UREA DERIVATIVE AND USE THEREOF TORAY INDUSTRIES, INC. (JP) 2008-09-17 EP disclosed
EP-1951501-A1 THERMOPLASTIC RESIN FILM AND METHOD FOR PRODUCING THEREOF FUJIFILM Corporation (JP) 2008-08-06 EP disclosed
US-20070264448-A1 Thermoplastic resin film and method of manufacturing the same FUJIFILM CORPORATION (JP) 2007-11-15 US disclosed
WO-2007060962-A1 THERMOPLASTIC FILM AND METHOD FOR PRODUCING THEREOF FUJIFILM CORPORATION (JP) 2007-05-31 WO disclosed
WO-2007060964-A1 THERMOPLASTIC RESIN FILM AND METHOD FOR PRODUCING THEREOF FUJIFILM CORPORATION (JP) 2007-05-31 WO disclosed
US-20060234997-A1 Tetrahydro-pyridoazepin-8-ones and related compounds for the treatment of schizophrenia WARNER-LAMBERT COMPANY LLC 2006-10-19 US disclosed
US-4543413-A Sulphonyl derivatives of N-phenyl pyridineamines SHELL OIL COMPANY (US) 1985-09-24 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 (7 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-20160137668-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A PDE5A, PDE3A, PDE3B KMT2A 2616/4885HMGCR 1517/4885CHRM1 21/4885
US-20100016319-A1 ARYLMETHYLENE UREA DERIVATIVE AND USE THEREOF UROD, UTS2R, SLC14A1 KMT2A 1304/4885HMGCR 3833/4885CHRM1 1082/4885
US-20130338394-A1 PROCESS FOR THE PREPARATION OF ENOLATE SALTS OF 4-FLUORO-2-HYDROXYMETHYLENE-3 OXO-BUTYRATES ELOVL3, ELOVL1, EEF1B2 KMT2A 310/4885HMGCR 965/4885CHRM1 276/4885
US-20160002231-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A PDE5A, PDE3A, PDE2A KMT2A 2130/4885HMGCR 1955/4885CHRM1 55/4885
US-20060234997-A1 Tetrahydro-pyridoazepin-8-ones and related compounds for the treatment of schizophrenia PTGDR, GRIN2A, PTGDR2 KMT2A 2211/4885HMGCR 2023/4885CHRM1 60/4885
US-20150290187-A1 SYNTHESIS OF (R)-N-METHYLNALTREXONE OPRM1, OPRL1, OPRK1 KMT2A 526/4885HMGCR 756/4885CHRM1 209/4885
US-20140148461-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A PDE1A, PDE1B, PDE3A KMT2A 1183/4885HMGCR 2417/4885CHRM1 49/4885

“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.