SCHEMBL6035582

SCHEMBL6035582

CCCCCC(Oc1ccccc1C(=O)OC)C(=O)OCC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 1/20 0.45
PRSS2 P07478 1/20 0.45
PRSS3 P35030 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TSHR P16473 5/20 0.43
CYP3A4 P08684 2/20 0.43
TP53 P04637 1/20 0.43
MAPK1 P28482 1/20 0.43
ALDH1A1 P00352 4/20 0.43
LMNA P02545 1/20 0.43
KDM4E B2RXH2 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MAPT P10636 2/20 0.42
HSP90AA1 P07900 1/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
SLC6A3 Q01959 1/20 0.42
TDP1 Q9NUW8 2/20 0.41

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
SCHEMBL5695176 0.96 TSHR (0.46) CYP1A2CYP2C19SMN1; SMN2TSHRCYP3A4
SCHEMBL6034412 0.92 PRSS1 (0.47) PRSS1PRSS2PRSS3CYP1A2CYP2C19
SCHEMBL6035268 0.92 TSHR (0.51) PRSS1PRSS2PRSS3TSHRCYP3A4
SCHEMBL6036105 0.90 TSHR (0.49) PRSS1PRSS2PRSS3SMN1; SMN2TSHR
SCHEMBL5695157 0.88 CYP1A2 (0.47) PRSS1PRSS2PRSS3CYP1A2CYP2C19
SCHEMBL5695131 0.88 TSHR (0.53) PRSS1PRSS2PRSS3CYP1A2CYP2C19
SCHEMBL6034422 0.87 SLC6A3 (0.47) PRSS1PRSS2PRSS3CYP1A2CYP2C19
SCHEMBL6035267 0.87 KDM4E (0.53) PRSS1PRSS2PRSS3TSHRCYP3A4
SCHEMBL5695129 0.86 TSHR (0.50) PRSS1PRSS2PRSS3SMN1; SMN2TSHR
SCHEMBL6034982 0.84 TSHR (0.50) PRSS1PRSS2PRSS3TSHRCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6984741-B2 5-Nitrobenzofurans BAYER AKTIENGESELLSCHAFT (DE) 2006-01-10 US disclosed
US-20050288519-A1 5-Nitrobenzofurans MAGERLEIN WOLFGANG 2005-12-29 US disclosed
CN-1485323-A 5-nitrobenzofurans 2004-03-31 CN disclosed
US-20040034220-A1 5-Nitrobenzofurans LANXESS DEUTSCHLAND GMBH (DE) 2004-02-19 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 (2 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-20050288519-A1 5-Nitrobenzofurans NOX5, NQO1, NDUFS5 PRSS1 3855/4885PRSS2 3096/4885PRSS3 3032/4885
US-20040034220-A1 5-Nitrobenzofurans NOX5, NQO1, NDUFS5 PRSS1 3855/4885PRSS2 3096/4885PRSS3 3032/4885

“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.