SCHEMBL20520163

SCHEMBL20520163

CCCCCCCCCCC(CCCCCCCC)C(=O)Oc1cccc(-c2ccccc2)c1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.52
GAA P10253 1/20 0.45
XBP1 P17861 1/20 0.45
ATM Q13315 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MGLL Q99685 1/20 0.44
RXRA P19793 1/20 0.44
RXRB P28702 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
SCHEMBL20520028 1.00 PTGS2 (0.52) PTGS2GAAXBP1ATMNPSR1
SCHEMBL20519807 1.00 PTGS2 (0.52) PTGS2GAAXBP1ATMNPSR1
SCHEMBL20520011 0.99 PTGS2 (0.51) PTGS2GAAXBP1ATMNPSR1
SCHEMBL20520068 0.90 GAA (0.57) PTGS2GAAXBP1ATMNPSR1
SCHEMBL20519926 0.88 HDAC3 (0.48) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL20520156 0.88 HDAC3 (0.48) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL20520099 0.88 HDAC3 (0.48) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL3929624 0.87 ZDHHC2 (0.49) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL29163411 0.87 ZDHHC2 (0.49) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL11296486 0.87 ZDHHC2 (0.49) GAAXBP1ATMNPSR1L3MBTL1

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-20180282257-A1 Aromatic Monoester Compositions and Processes for Preparing Same EXXONMOBIL CHEMICAL PATENTS INC. 2018-10-04 US claimed
US-20180282257-A1 Aromatic Monoester Compositions and Processes for Preparing Same EXXONMOBIL CHEMICAL PATENTS INC. 2018-10-04 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-20180282257-A1 Aromatic Monoester Compositions and Processes for Preparing Same ADH1A, ADH1C, GK PTGS2 4349/4885GAA 608/4885XBP1 800/4885

“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.