SCHEMBL309719

SCHEMBL309719

[CH2]c1ccc(OCC)c(OCC)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
MAPT P10636 2/20 0.46
GAA P10253 1/20 0.46
POLB P06746 4/20 0.43
PDE4A P27815 3/20 0.42
PDE4B Q07343 2/20 0.42
PDE4C Q08493 2/20 0.42
PDE4D Q08499 2/20 0.42
TSHR P16473 3/20 0.42
ALDH1A1 P00352 5/20 0.41
MAPK1 P28482 4/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 3/20 0.40
S1PR1 P21453 1/20 0.40
CALM1 P0DP23 1/20 0.40
CYP3A4 P08684 2/20 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
SCHEMBL1379795 0.90 PDE4A (0.54) KDM4EMAPTGAAPDE4APDE4B
SCHEMBL356412 0.90 KDM4E (0.59) KDM4EMAPTGAAPDE4APDE4B
SCHEMBL16953993 0.85 SHMT2 (0.39) KDM4EMAPTGAAPOLBPDE4A
SCHEMBL16957605 0.83 S1PR1 (0.39) KDM4EMAPTGAAPOLBPDE4A
SCHEMBL3032528 0.83 PDE4A (0.36) KDM4EMAPTGAAPOLBPDE4A
SCHEMBL16961146 0.83 S1PR1 (0.39) KDM4EMAPTGAAPOLBTSHR
SCHEMBL16956683 0.83 RAB9A (0.43) KDM4EMAPTGAAPDE4APDE4B
SCHEMBL6583776 0.83 MAPT (0.47) KDM4EMAPTGAAPOLBPDE4A
SCHEMBL16962672 0.83 ALDH1A1 (0.38) KDM4EMAPTGAAPOLBTSHR
SCHEMBL16959303 0.83 ESR1 (0.46) KDM4EMAPTGAAPOLBPDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060189614-A1 Substituted diamino-1,3,5-triazine derivatives JANSSEN PAUL A 2006-08-24 US claimed
US-20060049177-A1 Induction heating cooker LG ELECTRONICS INC. 2006-03-09 US claimed
EP-1214300-B1 RATE-CONTROLLED PARTICLES ABBOTT GMBH & CO KG (DE) 2003-09-03 EP claimed
EP-1189891-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION Bioscience AG (DE) 2002-03-27 EP claimed
US-6362342-B1 BIOSYNTHESIS; DRUG LIBRARIES LION BIOSCIENCE AG (DE) 2002-03-26 US claimed
WO-2001000594-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2001-01-04 WO claimed
EP-0834507-A1 Substituted diamino-1,3,5-triazine derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1998-04-08 EP claimed
US-5468865-A EFFICIENCY CELGENE CORPORATION (US) 1995-11-21 US claimed
WO-1995029903-A1 STEREOPREFERENTIAL SYNTHESIS OF 3-(1-PHENYLPROP-2-YL)-5-PHENYLOXAZOLIDINONES CELGENE CORPORATION (US) 1995-11-09 WO claimed
US-9028876-B2 Rate-controlled particles JANSSEN R&D IRELAND (IE) 2015-05-12 US disclosed
US-8883842-B2 Use of HDAC inhibitors for the treatment of myeloma NOVARTIS AG (CH) 2014-11-11 US disclosed
EP-1957073-B1 MEDICINAL DRUG OTSUKA PHARMA CO LTD (JP) 2014-04-23 EP disclosed
US-8551999-B2 Heterocyclic compound and pharmaceutical composition thereof OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-10-08 US disclosed
CN-103224488-A Heterocyclic compound or salt thereof OTSUKA PHARMA CO LTD 2013-07-31 CN disclosed
US-4455430-A ANTITUMOR AGENTS, MICROCIDES THE UPJOHN COMPANY (US) 1984-06-19 US disclosed
US-RE31578-E ANTITUMOR AGENTS, BACTERICIDES THE UPJOHN COMPANY (US) 1984-05-01 US disclosed
US-4429119-A PLANT GROWTH REGULATORS CHEVRON RESEARCH COMPANY (US) 1984-01-31 US disclosed
US-4298744-A CHLORINATION OF ISOMERIC ANALOG THE UPJOHN COMPANY (US) 1981-11-03 US disclosed
US-4275214-A ANALOGS OF TRICHOLOMIC ACID USEFUL AS INTERMEDIATES IN THE PREPARATION OF AT-125 THE UPJOHN COMPANY (US) 1981-06-23 US disclosed
US-4256898-A INTERMEDIATES FOR MAKING (ALPHAS, 5S)-ALPHA-AMINO-3-CHLORO-2-ISOXAZOLINE-5-ACETIC ACID (AT-125) THE UPJOHN COMPANY (US) 1981-03-17 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-20060189614-A1 Substituted diamino-1,3,5-triazine derivatives C5, ADORA1, C1S KDM4E 2713/4885MAPT 3917/4885GAA 3531/4885

“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.