SCHEMBL2906128

SCHEMBL2906128

CCCCCCCCCCCCSc1cc2c(cc1SCCCCCCCCCCCC)C(=O)c1c(c(O)c3cc(SCCCCCCCCCCCC)c(SCCCCCCCCCCCC)cc3c1O)C2=O

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 7/20 0.41
P4HB P07237 1/20 0.40
SOAT1 P35610 8/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
THRB P10828 1/20 0.38
USP2 O75604 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PTGS2 P35354 2/20 0.38

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
SCHEMBL2908399 0.91 SOAT1 (0.45) GPR84P4HBSOAT1PTGS2
SCHEMBL2901189 0.91 SOAT1 (0.45) GPR84P4HBSOAT1PTGS2
SCHEMBL12402097 0.89 GPR84 (0.41) GPR84P4HBSOAT1SMN1; SMN2THRB
SCHEMBL12402081 0.84 P4HB (0.50) GPR84P4HBSOAT1SMN1; SMN2PTGS2
SCHEMBL2906255 0.78 TDP1 (0.40) GPR84SMN1; SMN2THRBHSD17B10
SCHEMBL2901427 0.77 SOAT1 (0.45) P4HBSOAT1THRB
SCHEMBL2903559 0.76 CA2 (0.39) SMN1; SMN2THRBHSD17B10
SCHEMBL27755813 0.76 SOAT1 (0.50) P4HBSOAT1SMN1; SMN2HSD17B10PTGS2
SCHEMBL10909807 0.76 PTGS2 (0.44) GPR84THRBPTGS2
SCHEMBL10909011 0.76 PTGS2 (0.44) GPR84THRBPTGS2

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 5 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
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 GPR84 2314/4885P4HB 3355/4885SOAT1 2578/4885

“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.