SCHEMBL3540602

SCHEMBL3540602

CC=CCCc1cc(C(=O)OC)cc(OC)c1OC

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
MAPT P10636 2/20 0.43
KDM4E B2RXH2 4/20 0.43
CYP3A4 P08684 2/20 0.41
LMNA P02545 1/20 0.41
TPMT P51580 1/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
SLC29A1 Q99808 1/20 0.39
CYP1A2 P05177 1/20 0.39
USP2 O75604 2/20 0.39
POLB P06746 3/20 0.39
ALDH1A1 P00352 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP2C9 P11712 1/20 0.39
SCN1A P35498 1/20 0.39
SCN2A Q99250 1/20 0.39
SCN3A Q9NY46 1/20 0.39

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
SCHEMBL3546331 1.00 TSHR (0.43) TSHRMAPTKDM4ECYP3A4LMNA
SCHEMBL3544793 0.88 TSHR (0.43) TSHRMAPTKDM4ECYP3A4LMNA
SCHEMBL3544790 0.88 TSHR (0.43) TSHRMAPTKDM4ECYP3A4LMNA
SCHEMBL3550555 0.86 TSHR (0.45) TSHRMAPTKDM4ECYP3A4LMNA
SCHEMBL3543246 0.85 TSHR (0.44) TSHRMAPTKDM4ECYP3A4LMNA
SCHEMBL3546673 0.81 PPARG (0.53) TSHRMAPTKDM4ECYP3A4TPMT
SCHEMBL3545411 0.79 ALOX5 (0.50) TSHRKDM4ECYP3A4MEN1KMT2A
SCHEMBL3549887 0.79 CYP4A11 (0.49) TSHRMAPTKDM4ECYP3A4TPMT
SCHEMBL3547886 0.78 ALOX5 (0.56) TSHRKDM4E
SCHEMBL3546446 0.78 TSHR (0.45) TSHRMAPTKDM4ECYP3A4LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7691843-B2 N-hydroxyamide derivatives possessing antibacterial activity PFIZER INC. (US) 2010-04-06 US disclosed
US-20080058304-A1 N-hydroxyamide derivatives possessing antibacterial activity VICURON HOLDINGS LLC 2008-03-06 US disclosed
EP-1539744-A4 N-HYDROXYAMIDE DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARM INC (US) 2007-06-06 EP disclosed
EP-1539744-A2 N-HYDROXYAMIDE DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY Vicuron Pharmaceuticals, Inc. (US) 2005-06-15 EP disclosed
WO-2004007444-A2 N-HYDROXYAMIDE DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARMACEUTICALS, INC. (US) 2004-01-22 WO 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-20080058304-A1 N-hydroxyamide derivatives possessing antibacterial activity AMDHD2, OGA, ENGASE TSHR 3540/4885MAPT 3703/4885KDM4E 2323/4885

“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.