SCHEMBL6034412

SCHEMBL6034412

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 1/20 0.47
PRSS2 P07478 1/20 0.47
PRSS3 P35030 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TSHR P16473 3/20 0.46
CYP3A4 P08684 3/20 0.46
TP53 P04637 1/20 0.46
MAPK1 P28482 1/20 0.46
ALDH1A1 P00352 4/20 0.44
LMNA P02545 2/20 0.44
SLC6A3 Q01959 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
CA2 P00918 1/20 0.43
KMT2A Q03164 3/20 0.42
ALOX12 P18054 1/20 0.42
PPARG P37231 1/20 0.41
MEN1 O00255 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
SCHEMBL5695157 0.96 CYP1A2 (0.47) PRSS1PRSS2PRSS3CYP1A2CYP2C19
SCHEMBL6035582 0.92 PRSS1 (0.45) PRSS1PRSS2PRSS3CYP1A2CYP2C19
SCHEMBL6036105 0.92 TSHR (0.49) PRSS1PRSS2PRSS3SMN1; SMN2TSHR
SCHEMBL6036084 0.90 KDM4E (0.53) PRSS1PRSS2PRSS3TSHRCYP3A4
SCHEMBL6034422 0.90 SLC6A3 (0.47) PRSS1PRSS2PRSS3CYP1A2CYP2C19
SCHEMBL5695176 0.88 TSHR (0.46) CYP1A2CYP2C19SMN1; SMN2TSHRCYP3A4
SCHEMBL5695129 0.88 TSHR (0.50) PRSS1PRSS2PRSS3SMN1; SMN2TSHR
SCHEMBL5695160 0.85 PPARG (0.48) CYP1A2CYP2C19SMN1; SMN2TSHRCYP3A4
SCHEMBL5695165 0.85 KDM4E (0.55) TSHRCYP3A4TP53MAPK1ALDH1A1
SCHEMBL6035268 0.84 TSHR (0.51) 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.