SCHEMBL3421333

SCHEMBL3421333

COC(C)COCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.55
TSHR P16473 1/20 0.54
CA1 P00915 4/20 0.50
CA2 P00918 2/20 0.50
CA7 P43166 2/20 0.50
CA9 Q16790 2/20 0.50
HTT P42858 2/20 0.50
TACR1 P25103 4/20 0.49
SLC1A1 P43005 1/20 0.42
MAPT P10636 2/20 0.42
NPC1 O15118 1/20 0.42
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL16732414 1.00 KMT2A (0.55) KMT2ATSHRCA1CA2CA7
SCHEMBL21540243 1.00 KMT2A (0.55) KMT2ATSHRCA1CA2CA7
SCHEMBL19720285 0.93 KMT2A (0.50) KMT2ATSHRCA1CA2CA7
SCHEMBL13535467 0.93 KMT2A (0.50) KMT2ATSHRCA1CA2CA7
SCHEMBL13535474 0.87 KMT2A (0.44) KMT2ATSHRCA1CA2CA7
SCHEMBL31371076 0.87 TSHR (0.48) KMT2ATSHRCA1CA2CA7
SCHEMBL4621117 0.86 TSHR (0.56) KMT2ATSHRCA1CA2CA7
SCHEMBL5471268 0.84 TSHR (0.54) KMT2ATSHRCA1CA2CA7
SCHEMBL13535468 0.83 TSHR (0.48) KMT2ATSHRCA1CA2CA7
SCHEMBL12408480 0.82 TSHR (0.52) KMT2ATSHRCA1CA2CA7

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-9845292-B2 Selective FKBP51 ligands for treatment of psychiatric disorders MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2017-12-19 US disclosed
US-20170281667-A1 NOVEL COMPOSITIONS AND THERAPEUTIC METHODS AYUVIS RESEARCH, INC. 2017-10-05 US disclosed
US-20160289184-A1 SELECTIVE FKBP51 LIGANDS FOR TREATMENT OF PSYCHIATRIC DISORDERS HAUSCH, FELIX (DE) 2016-10-06 US disclosed
CN-102267878-A Method for preparing 1,3-diaroxy or alkoxy-2-propanol compound 2011-12-07 CN disclosed
US-7648651-B2 Solvent composition ADEKA CORPORATION (JP) 2010-01-19 US disclosed
US-7648651-B2 Solvent composition ADEKA CORPORATION (JP) 2010-01-19 US disclosed
US-7648651-B2 Solvent composition ADEKA CORPORATION (JP) 2010-01-19 US disclosed
US-20090093588-A1 Solvent Composition ADEKA CORPORATION (JP) 2009-04-09 US disclosed
US-20090093588-A1 Solvent Composition ADEKA CORPORATION (JP) 2009-04-09 US disclosed
US-20090093588-A1 Solvent Composition ADEKA CORPORATION (JP) 2009-04-09 US disclosed
US-7507355-B2 Solvent composition ADEKA CORPORATION (JP) 2009-03-24 US disclosed
US-7507355-B2 Solvent composition ADEKA CORPORATION (JP) 2009-03-24 US disclosed
US-7507355-B2 Solvent composition ADEKA CORPORATION (JP) 2009-03-24 US disclosed
US-20070257233-A1 Solvent Composition ADEKA CORPORATION (JP) 2007-11-08 US disclosed
US-20070257233-A1 Solvent Composition ADEKA CORPORATION (JP) 2007-11-08 US disclosed
US-20070257233-A1 Solvent Composition ADEKA CORPORATION (JP) 2007-11-08 US disclosed
EP-1808223-A1 SOLVENT COMPOSITION Adeka Corporation (JP) 2007-07-18 EP disclosed
EP-1808223-A1 SOLVENT COMPOSITION Adeka Corporation (JP) 2007-07-18 EP 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 (2 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-20170281667-A1 NOVEL COMPOSITIONS AND THERAPEUTIC METHODS RB1, CD47, FLT1 KMT2A 3915/4885TSHR 2494/4885CA1 3070/4885
US-20160289184-A1 SELECTIVE FKBP51 LIGANDS FOR TREATMENT OF PSYCHIATRIC DISORDERS FKBP5, FKBP1A, FKBP1B KMT2A 4481/4885TSHR 3021/4885CA1 4419/4885

“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.