SCHEMBL17540282

SCHEMBL17540282

CCCCCC(CC)COC(=O)CC1CC(=O)c2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 1/20 0.50
PRSS2 P07478 1/20 0.50
PRSS3 P35030 1/20 0.50
ALDH1A1 P00352 5/20 0.46
CYP3A4 P08684 3/20 0.46
CA2 P00918 1/20 0.46
LMNA P02545 3/20 0.43
TSHR P16473 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
ATM Q13315 1/20 0.42
MAPK1 P28482 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HSD17B10 Q99714 1/20 0.38
RECQL P46063 1/20 0.37
CYP1A2 P05177 1/20 0.37
HTR2C P28335 1/20 0.35

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
SCHEMBL17540273 0.82 ALDH1A1 (0.44) ALDH1A1KMT2AMAPTL3MBTL1HTR2C
SCHEMBL17400444 0.81 ALDH1A1 (0.46) ALDH1A1KMT2AMAPTL3MBTL1
SCHEMBL17540288 0.77 ALDH1A1 (0.40) PRSS1PRSS2PRSS3ALDH1A1CYP3A4
SCHEMBL17400432 0.74 HTR2C (0.47) TDP1CYP1A2HTR2C
SCHEMBL17540278 0.72 GLS (0.35) CYP1A2HTR2C
SCHEMBL9069615 0.69 HTR2C (0.44) HTR2C
SCHEMBL10454506 0.69 ALDH1A1 (0.61) PRSS1PRSS2PRSS3ALDH1A1CYP3A4
SCHEMBL30532537 0.69 PRSS1 (0.97) PRSS1PRSS2PRSS3ALDH1A1CYP3A4
SCHEMBL30532536 0.69 PRSS1 (0.97) PRSS1PRSS2PRSS3ALDH1A1CYP3A4
SCHEMBL28396810 0.69 PRSS1 (0.97) PRSS1PRSS2PRSS3ALDH1A1CYP3A4

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-9923143-B2 Fullerene derivative, organic solar cell using same, and manufacturing method thereof LG CHEM, LTD. (KR) 2018-03-20 US disclosed
US-20160056383-A1 FULLERENE DERIVATIVE, ORGANIC SOLAR CELL USING SAME, AND MANUFACTURING METHOD THEREOF LG CHEM, LTD. (KR) 2016-02-25 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-20160056383-A1 FULLERENE DERIVATIVE, ORGANIC SOLAR CELL USING SAME, AND MANUFACTURING METHOD THEREOF FTO, SUN2, CRY2 PRSS1 3905/4885PRSS2 3391/4885PRSS3 4330/4885

“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.