SCHEMBL1246192

SCHEMBL1246192

C#CCCCCCCCCC(=O)OC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.57
CYP1A2 P05177 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
HSD17B10 Q99714 1/20 0.57
TSHR P16473 3/20 0.56
ALDH1A1 P00352 3/20 0.50
LMNA P02545 2/20 0.50
KMT2A Q03164 2/20 0.46
RECQL P46063 1/20 0.41
HPGD P15428 2/20 0.41
KDM4E B2RXH2 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
EPHX2 P34913 2/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPK1 P28482 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
SCHEMBL15541706 1.00 MAPT (0.57) MAPTCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL3260470 1.00 MAPT (0.57) MAPTCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL26978842 1.00 MAPT (0.57) MAPTCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL1049466 1.00 MAPT (0.57) MAPTCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL22836423 1.00 MAPT (0.57) MAPTCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL17981462 1.00 MAPT (0.57) MAPTCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL2467407 1.00 MAPT (0.57) MAPTCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL5153957 0.98 TSHR (0.58) MAPTCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL1444871 0.91
SCHEMBL18102172 0.89 ALDH1A1 (0.54) MAPTCYP1A2CYP2D6CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005029003-A2 IDENTIFICATION OF AIR COMPONENTS WITH SILICON MASS SPECTROMETRY WATERS INVESTMENTS LIMITED (US) 2005-03-31 WO claimed
US-20240084343-A1 METHODS OF USING NATURAL AND ENGINEERED ORGANISMS TO PRODUCE SMALL MOLECULES FOR INDUSTRIAL APPLICATION KIVERDI INC (US) 2024-03-14 US disclosed
WO-2024027706-A1 BCL-XL DEGRADING COMPOUNDS BEIJING NEOX BIOTECH LIMITED (CN) 2024-02-08 WO disclosed
US-10144638-B2 Methods of dispersing carbon nanotubes BATTELLE MEMORIAL INSTITUTE (US) 2018-12-04 US disclosed
EP-2085220-B1 Resin composition for laser engraving, relief printing plate precursor for laser engraving, relief printing plate and method of producing the same FUJIFILM CORP (JP) 2015-05-20 EP disclosed
US-8273520-B2 Resin composition for laser engraving, relief printing plate precursor for laser engraving, relief printing plate and method of producing the same FUJIFILM CORPORATION (JP) 2012-09-25 US disclosed
US-8273520-B2 Resin composition for laser engraving, relief printing plate precursor for laser engraving, relief printing plate and method of producing the same FUJIFILM CORPORATION (JP) 2012-09-25 US disclosed
EP-2459510-A1 HYDROXY FATTY ACID COMPOUNDS AND USES THEREOF FOR DISEASE TREATMENT AND DIAGNOSIS Phenomenome Discoveries Inc. (CA) 2012-06-06 EP disclosed
US-20120136057-A1 HYDROXY FATTY ACID COMPOUNDS AND USES THEREOF FOR DISEASE TREATMENT AND DIAGNOSIS PHENOMENOME DISCOVERIES INC. (CA) 2012-05-31 US disclosed
US-20120136057-A1 HYDROXY FATTY ACID COMPOUNDS AND USES THEREOF FOR DISEASE TREATMENT AND DIAGNOSIS PHENOMENOME DISCOVERIES INC. (CA) 2012-05-31 US disclosed
EP-1470102-A1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) Applied Research Systems ARS Holding N.V. (AN) 2004-10-27 EP disclosed
WO-2003064376-A1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2003-08-07 WO disclosed
US-6358613-B1 SILICON SUBSTRATE WITH LAYERS OF VINYL OR ALKYL GROUPS BONDED TO SILICON SURFACE PURDUE RESEARCH FOUNDATION 2002-03-19 US disclosed
EP-1166329-A1 IMPROVED DESORPTION/IONIZATION OF ANALYTES FROM POROUS LIGHT-ABSORBING SEMICONDUCTOR The Scripps Research Institute (US) 2002-01-02 EP disclosed
US-6288390-B1 Desorption/ionization of analytes from porous light-absorbing semiconductor SCRIPPS RESEARCH INSTITUTE 2001-09-11 US disclosed
EP-1056548-A1 FUNCTIONALIZED POROUS SILICON SURFACES PURDUE RESEARCH FOUNDATION (US) 2000-12-06 EP disclosed
WO-2000054309-A1 IMPROVED DESORPTION/IONIZATION OF ANALYTES FROM POROUS LIGHT-ABSORBING SEMICONDUCTOR THE SCRIPPS RESEARCH INSTITUTE (US) 2000-09-14 WO disclosed
WO-1999037409-A1 FUNCTIONALIZED POROUS SILICON SURFACES PURDUE RESEARCH FOUNDATION (US) 1999-07-29 WO disclosed
WO-1999029640-A2 COMPOSITIONS AND METHODS FOR MODULATING THE ACTIVITY OF FIBROBLAST GROWTH FACTOR EISAI CO., LTD. (JP) 1999-06-17 WO disclosed
US-4450149-A REASCTING AN ORGANIC BORANE WITH A RADIOACTIVE HALOMONOCHLORIDE AND A MILD OXIDIZER; RADIOLOGY RESEARCH CORPORATION (US) 1984-05-22 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-20120136057-A1 HYDROXY FATTY ACID COMPOUNDS AND USES THEREOF FOR DISEASE TREATMENT AND DIAGNOSIS HCAR2, ALOX5, ALOX12 MAPT 3727/4885CYP1A2 506/4885CYP2D6 1012/4885

“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.