SCHEMBL6034982

SCHEMBL6034982

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.50
PRSS1 P07477 1/20 0.49
PRSS2 P07478 1/20 0.49
PRSS3 P35030 1/20 0.49
KDM4E B2RXH2 4/20 0.48
HSD17B10 Q99714 3/20 0.48
CYP3A4 P08684 3/20 0.48
MAPK1 P28482 2/20 0.48
TP53 P04637 1/20 0.48
ALDH1A1 P00352 6/20 0.47
LMNA P02545 1/20 0.47
TDP1 Q9NUW8 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
CA2 P00918 1/20 0.45
CTRC Q99895 1/20 0.44
PPARG P37231 3/20 0.44
PTGES O14684 1/20 0.44
ALOX5 P09917 1/20 0.44
MEN1 O00255 1/20 0.43
RECQL P46063 1/20 0.43

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
SCHEMBL5695098 0.96 TSHR (0.52) TSHRPRSS1PRSS2PRSS3KDM4E
SCHEMBL6035268 0.91 TSHR (0.51) TSHRPRSS1PRSS2PRSS3KDM4E
SCHEMBL6036105 0.89 TSHR (0.49) TSHRPRSS1PRSS2PRSS3KDM4E
SCHEMBL6034422 0.88 SLC6A3 (0.47) TSHRPRSS1PRSS2PRSS3KDM4E
SCHEMBL5695131 0.87 TSHR (0.53) TSHRPRSS1PRSS2PRSS3KDM4E
SCHEMBL2517738 0.87 KDM4E (0.57) TSHRPRSS1PRSS2PRSS3KDM4E
SCHEMBL28658873 0.86 PRSS1 (0.53) TSHRPRSS1PRSS2PRSS3KDM4E
SCHEMBL19717843 0.85 KDM4E (0.56) TSHRPRSS1PRSS2PRSS3KDM4E
SCHEMBL547407 0.85 KDM4E (0.56) TSHRPRSS1PRSS2PRSS3KDM4E
SCHEMBL3674655 0.85 KDM4E (0.56) TSHRPRSS1PRSS2PRSS3KDM4E

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 TSHR 4324/4885PRSS1 3855/4885PRSS2 3096/4885
US-20040034220-A1 5-Nitrobenzofurans NOX5, NQO1, NDUFS5 TSHR 4324/4885PRSS1 3855/4885PRSS2 3096/4885

“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.