SCHEMBL3135401

SCHEMBL3135401

Cc1cc(OCCC(C)C)c(/C=C/c2cc(OCCC(C)C)c(C=O)cc2OCCC(C)C)cc1OCCC(C)C

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.39
HTT P42858 2/20 0.36
ALDH1A1 P00352 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
KDM4E B2RXH2 1/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
HPGD P15428 1/20 0.35
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
LMNA P02545 1/20 0.34
TLR8 Q9NR97 1/20 0.34
MCHR1 Q99705 1/20 0.34
XDH P47989 2/20 0.33
MAPK1 P28482 1/20 0.33
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32

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
SCHEMBL3135404 1.00 ESR1 (0.39) ESR1HTTALDH1A1TDP1KDM4E
SCHEMBL3144475 0.95 ESR1 (0.41) ESR1HTTALDH1A1TDP1KDM4E
SCHEMBL17791884 0.84 HMGCR (0.41) ESR1HTTTDP1SMN1; SMN2TP53
SCHEMBL3139330 0.84 ESR1 (0.38) ESR1HTTALDH1A1TDP1SMN1; SMN2
SCHEMBL13374133 0.84 ESR1 (0.38) ESR1HTTALDH1A1TDP1SMN1; SMN2
SCHEMBL13475561 0.82 ESR1 (0.49) ESR1HTTTDP1SMN1; SMN2TP53
SCHEMBL13374134 0.77 ESR1 (0.36) ESR1HTTSMN1; SMN2MAPTTLR8
SCHEMBL4430873 0.75 LMNA (0.41) HTTALDH1A1TDP1KDM4ETSHR
SCHEMBL8056947 0.75 HTT (0.38) ESR1HTTALDH1A1TDP1KDM4E
SCHEMBL8056949 0.75 HTT (0.38) ESR1HTTALDH1A1TDP1KDM4E

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-8288542-B2 Noble ruthenium-type sensitizer and method of preparing the same DONGJIN SEMICHEM CO., LTD. (KR) 2012-10-16 US 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-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
US-20100071763-A1 NOBLE RUTHENIUM-TYPE SENSITIZER AND METHOD OF PREPARING THE SAME DONGJIN SEMICHEM CO., LTD. (KR) 2010-03-25 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 2212/4885HTT 4620/4885ALDH1A1 2833/4885

“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.