SCHEMBL17400409

SCHEMBL17400409

CCOC(=O)c1ccc(-c2ccc3c(c2)CCC3=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 5/20 0.56
PRF1 P14222 1/20 0.52
PDK2 Q15119 1/20 0.48
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
ESR1 P03372 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
ESR2 Q92731 1/20 0.46
CA14 Q9ULX7 1/20 0.46
SRD5A1 P18405 1/20 0.46
SRD5A2 P31213 1/20 0.46
ALDH1A1 P00352 1/20 0.45
MAPK1 P28482 1/20 0.45
CYP1A2 P05177 2/20 0.45
LMNA P02545 1/20 0.45
CYP3A4 P08684 1/20 0.45
MAOA P21397 1/20 0.45
KCNH2 Q12809 1/20 0.44

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
SCHEMBL4179934 0.89 SRD5A1 (0.55) HSD17B1PRF1CA12CA1CA2
SCHEMBL4916631 0.81 MAPT (0.58) CA12CA1CA2CA9ALDH1A1
SCHEMBL552474 0.81 ALDH1A1 (0.53) HSD17B1CA12CA1CA2ESR1
SCHEMBL31337617 0.80 BRD4 (0.55) CA12CA1CA2ESR1CA7
SCHEMBL30583381 0.80 BRD4 (0.55) CA12CA1CA2ESR1CA7
SCHEMBL17540279 0.80 HSD17B1 (0.66) HSD17B1ESR1ESR2CYP1A2KCNH2
SCHEMBL10443684 0.79 CA12 (0.57) CA12CA1CA2ESR1CA7
SCHEMBL4424918 0.78 HSD17B1 (0.68) HSD17B1SRD5A1SRD5A2CYP1A2LMNA
SCHEMBL1513411 0.78 BRD4 (0.48) MAPT
SCHEMBL16351874 0.77 CA1 (0.73) CA12CA1CA2ESR1CA7

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-20160056383-A1 FULLERENE DERIVATIVE, ORGANIC SOLAR CELL USING SAME, AND MANUFACTURING METHOD THEREOF LG CHEM, LTD. (KR) 2016-02-25 US disclosed
EP-2962992-A1 FULLERENE DERIVATIVE, ORGANIC SOLAR CELL USING SAME, AND MANUFACTURING METHOD THEREOF LG Chem, Ltd. (KR) 2016-01-06 EP 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-20160056383-A1 FULLERENE DERIVATIVE, ORGANIC SOLAR CELL USING SAME, AND MANUFACTURING METHOD THEREOF FTO, SUN2, CRY2 HSD17B1 3023/4885PRF1 1551/4885PDK2 2114/4885

“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.