SCHEMBL3134444

SCHEMBL3134444

CCOP(OCC)OCc1cc(OCCC(C)C)c(Br)cc1OCCC(C)C

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
THRA P10827 2/20 0.34
THRB P10828 2/20 0.34
HTR2A P28223 5/20 0.32
TAAR1 Q96RJ0 2/20 0.32
XDH P47989 1/20 0.32
TLR8 Q9NR97 1/20 0.31
ESR1 P03372 1/20 0.30
LTB4R Q15722 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL7080656 0.78 THRA (0.42) THRATHRBHTR2ATAAR1XDH
SCHEMBL3130075 0.78 THRA (0.41) THRATHRBHTR2ATAAR1XDH
SCHEMBL2778642 0.78 THRA (0.47) THRATHRBHTR2ATAAR1XDH
SCHEMBL13374131 0.73 THRA (0.36) THRATHRBHTR2ATAAR1XDH
SCHEMBL4622068 0.72 HTR2A (0.49) THRATHRBHTR2ATAAR1
SCHEMBL5073881 0.71 THRA (0.47) THRATHRBXDHTLR8ESR1
SCHEMBL8062744 0.69 THRA (0.41) THRATHRBHTR2ATAAR1XDH
SCHEMBL8592803 0.69 THRA (0.41) THRATHRBXDHTLR8ESR1
SCHEMBL7080828 0.69 THRA (0.41) THRATHRBHTR2ATAAR1XDH
SCHEMBL12892623 0.67 TAAR1 (0.49) HTR2ATAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288542-B2 Noble ruthenium-type sensitizer and method of preparing the same DONGJIN SEMICHEM CO., LTD. (KR) 2012-10-16 US disclosed
US-20100071763-A1 NOBLE RUTHENIUM-TYPE SENSITIZER AND METHOD OF PREPARING THE SAME DONGJIN SEMICHEM CO., LTD. (KR) 2010-03-25 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-20100071763-A1 NOBLE RUTHENIUM-TYPE SENSITIZER AND METHOD OF PREPARING THE SAME MSH6, CRY1, MKI67 THRA 4334/4885THRB 4426/4885HTR2A 4708/4885

“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.