SCHEMBL2903559

SCHEMBL2903559

O=C1c2cc(SCCCCO)c(SCCCCO)cc2C(=O)c2c1c(O)c1ccccc1c2O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.39
TDP1 Q9NUW8 4/20 0.38
KDM4E B2RXH2 3/20 0.36
MEN1 O00255 2/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP3A4 P08684 2/20 0.36
MAPT P10636 2/20 0.36
HPGD P15428 2/20 0.36
ALOX12 P18054 2/20 0.36
MAPK1 P28482 2/20 0.36
RECQL P46063 2/20 0.36
KMT2A Q03164 2/20 0.36
HSD17B10 Q99714 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
HKDC1 Q2TB90 2/20 0.36
BRCA1 P38398 2/20 0.36
S100A4 P26447 2/20 0.36
CDC25A P30304 2/20 0.36
CDC25B P30305 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36

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
SCHEMBL2906255 0.99 TDP1 (0.40) CA2TDP1KDM4EMEN1ALDH1A1
SCHEMBL2906564 0.90 S100A4 (0.46) CA2TDP1KDM4EMEN1ALDH1A1
SCHEMBL2901189 0.86 SOAT1 (0.45) KDM4EMAPT
SCHEMBL2908399 0.86 SOAT1 (0.45) KDM4EMAPT
SCHEMBL13567161 0.78 MAPT (0.42) KDM4EALDH1A1CYP3A4MAPTKMT2A
SCHEMBL2906128 0.76 GPR84 (0.41) HSD17B10SMN1; SMN2THRB
SCHEMBL2902113 0.75 CA2 (0.40) CA2TDP1KDM4EMEN1ALDH1A1
SCHEMBL13568733 0.74 MEN1 (0.43) TDP1KDM4EMEN1ALDH1A1CYP3A4
SCHEMBL2906203 0.74 TDP1 (0.40) CA2TDP1KDM4EMEN1ALDH1A1
SCHEMBL13568736 0.74 CA2 (0.39) CA2TDP1KDM4EMEN1ALDH1A1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9039946-B2 Reversibly thermochromic compositions BASF SE (DE) 2015-05-26 US disclosed
US-9039946-B2 Reversibly thermochromic compositions BASF SE (DE) 2015-05-26 US disclosed
US-9039946-B2 Reversibly thermochromic compositions BASF SE (DE) 2015-05-26 US disclosed
EP-1888705-B1 Reversibly thermochromic compositions BASF SE (DE) 2010-08-18 EP disclosed
EP-1888705-B1 Reversibly thermochromic compositions BASF SE (DE) 2010-08-18 EP disclosed
US-20090302284-A1 Reversibly Thermochromic Compositions CIBA CORPORATION 2009-12-10 US disclosed
US-20090302284-A1 Reversibly Thermochromic Compositions CIBA CORPORATION 2009-12-10 US disclosed
US-20090302284-A1 Reversibly Thermochromic Compositions CIBA CORPORATION 2009-12-10 US disclosed
EP-1888705-A1 REVERSIBLY THERMOCHROMIC COMPOSITIONS Ciba Specialty Chemicals Holding, Inc. (CH) 2008-02-20 EP disclosed
WO-2006131465-A1 REVERSIBLY THERMOCHROMIC COMPOSITIONS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2006-12-14 WO 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-20090302284-A1 Reversibly Thermochromic Compositions DHCR7, NES, DUT CA2 1786/4885TDP1 827/4885KDM4E 3804/4885

“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.