SCHEMBL6036084

SCHEMBL6036084

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
RECQL P46063 1/20 0.53
ALDH1A1 P00352 4/20 0.49
HSD17B10 Q99714 3/20 0.49
HPGD P15428 2/20 0.49
HTT P42858 1/20 0.46
PRSS1 P07477 1/20 0.44
PRSS2 P07478 1/20 0.44
PRSS3 P35030 1/20 0.44
TSHR P16473 3/20 0.42
CYP3A4 P08684 2/20 0.42
TP53 P04637 1/20 0.42
MAPK1 P28482 1/20 0.42
LMNA P02545 2/20 0.41
PPARG P37231 2/20 0.41
PPARA Q07869 1/20 0.41
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 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
SCHEMBL5695165 0.96 KDM4E (0.55) KDM4EMEN1KMT2ARECQLALDH1A1
SCHEMBL6034412 0.90 PRSS1 (0.47) KDM4EMEN1KMT2ARECQLALDH1A1
SCHEMBL6035267 0.90 KDM4E (0.53) KDM4EMEN1KMT2ARECQLALDH1A1
SCHEMBL2517738 0.88 KDM4E (0.57) KDM4EMEN1KMT2ARECQLALDH1A1
SCHEMBL6036105 0.87 TSHR (0.49) KDM4EALDH1A1HSD17B10HPGDPRSS1
SCHEMBL19717843 0.86 KDM4E (0.56) KDM4EMEN1KMT2ARECQLALDH1A1
SCHEMBL3674655 0.86 KDM4E (0.56) KDM4EMEN1KMT2ARECQLALDH1A1
SCHEMBL547407 0.86 KDM4E (0.56) KDM4EMEN1KMT2ARECQLALDH1A1
SCHEMBL5695124 0.85 KDM4E (0.55) KDM4EMEN1KMT2ARECQLALDH1A1
SCHEMBL5695157 0.85 CYP1A2 (0.47) KDM4EMEN1KMT2ARECQLALDH1A1

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 KDM4E 917/4885MEN1 3582/4885KMT2A 2669/4885
US-20040034220-A1 5-Nitrobenzofurans NOX5, NQO1, NDUFS5 KDM4E 917/4885MEN1 3582/4885KMT2A 2669/4885

“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.