SCHEMBL2901427

SCHEMBL2901427

CCCCCCCCCCCCSc1ccc2c(c1)C(=O)c1c(c(O)c3ccccc3c1O)C2=O

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 10/20 0.45
CNR2 P34972 2/20 0.43
P4HB P07237 1/20 0.41
THRB P10828 2/20 0.41
THRA P10827 1/20 0.40
ALK Q9UM73 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
S100A4 P26447 1/20 0.39
PLK1 P53350 1/20 0.38
PGAM1 P18669 1/20 0.37

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
SCHEMBL2901189 0.86 SOAT1 (0.45) SOAT1P4HBKDM4EMAPT
SCHEMBL2908399 0.86 SOAT1 (0.45) SOAT1P4HBKDM4EMAPT
SCHEMBL9297914 0.85 SOAT1 (0.45) SOAT1CNR2THRBTHRAALK
SCHEMBL9296453 0.81 SOAT1 (0.42) SOAT1CNR2THRBALKS100A4
SCHEMBL11295867 0.79 SOAT1 (0.55) SOAT1CNR2MAPTS100A4
SCHEMBL13568737 0.77 BCL2 (0.45) KDM4EMAPT
SCHEMBL2906128 0.77 GPR84 (0.41) SOAT1P4HBTHRB
SCHEMBL9297777 0.76 SOAT1 (0.48) SOAT1CNR2P4HBTHRBTHRA
SCHEMBL2908405 0.76 THRB (0.42) THRBTHRAKDM4EMAPTPGAM1
SCHEMBL27755813 0.75 SOAT1 (0.50) SOAT1P4HBKDM4EMAPTS100A4

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 6 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
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
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 SOAT1 2578/4885CNR2 2805/4885P4HB 3355/4885

“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.