SCHEMBL3139330

SCHEMBL3139330

Cc1cc(OCCC(C)C)c(C=Cc2cc(OCCC(C)C)c(Br)cc2OCCC(C)C)cc1OCCC(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.38
THRA P10827 2/20 0.37
THRB P10828 2/20 0.37
SMN1; SMN2 Q16637 3/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
XDH P47989 2/20 0.34
TLR8 Q9NR97 1/20 0.33
MCHR1 Q99705 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
PDPK1 O15530 1/20 0.30
PRKAG1 P54619 1/20 0.30
PRKAA1 Q13131 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
SCHEMBL13374133 1.00 ESR1 (0.38) ESR1THRATHRBSMN1; SMN2L3MBTL1
SCHEMBL7080828 0.92 THRA (0.41) ESR1THRATHRBXDHTLR8
SCHEMBL8062744 0.92 THRA (0.41) ESR1THRATHRBXDHTLR8
SCHEMBL3135404 0.84 ESR1 (0.39) ESR1THRATHRBSMN1; SMN2XDH
SCHEMBL3135401 0.84 ESR1 (0.39) ESR1THRATHRBSMN1; SMN2XDH
SCHEMBL17791884 0.83 HMGCR (0.41) ESR1SMN1; SMN2XDHTLR8MCHR1
SCHEMBL27919739 0.82 PTPN1 (0.37) ESR1THRATHRBSMN1; SMN2L3MBTL1
SCHEMBL2778642 0.82 THRA (0.47) ESR1THRATHRBXDHTLR8
SCHEMBL13475561 0.80 ESR1 (0.49) ESR1THRATHRBSMN1; SMN2XDH
SCHEMBL3144475 0.78 ESR1 (0.41) ESR1THRATHRBSMN1; SMN2XDH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2125963-B1 NOBLE RUTHENIUM-TYPE SENSITIZER AND METHOD OF PREPARING THE SAME DONGJIN SEMICHEM CO LTD (KR) 2012-10-31 EP disclosed
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 ESR1 2212/4885THRA 4334/4885THRB 4426/4885

“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.