SCHEMBL3549887

SCHEMBL3549887

COC(=O)c1cc(CCCO)c(OC)c(OC)c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP4A11 Q02928 3/20 0.49
TSHR P16473 2/20 0.46
KDM4E B2RXH2 2/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
CYP4F2 P78329 2/20 0.44
CYP3A4 P08684 2/20 0.44
SCN1A P35498 1/20 0.44
SCN2A Q99250 1/20 0.44
SCN3A Q9NY46 1/20 0.44
MAPT P10636 1/20 0.43
SLC29A1 Q99808 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TPMT P51580 1/20 0.43
ALDH1A1 P00352 1/20 0.41
USP2 O75604 1/20 0.41
CYP2D6 P10635 1/20 0.41
THPO P40225 1/20 0.41
MTOR P42345 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
SCHEMBL3545411 0.88 ALOX5 (0.50) TSHRKDM4EMEN1KMT2ACYP3A4
SCHEMBL3546446 0.87 TSHR (0.45) TSHRKDM4EMEN1KMT2ACYP3A4
SCHEMBL3547886 0.87 ALOX5 (0.56) TSHRKDM4E
SCHEMBL3547228 0.87 TPMT (0.55) TSHRMEN1KMT2ASMN1; SMN2TPMT
SCHEMBL3547720 0.86 ALOX5 (0.56) MEN1KMT2A
SCHEMBL23195969 0.85 CYP4A11 (0.49) CYP4A11TSHRKDM4EKMT2ACYP4F2
SCHEMBL3546673 0.85 PPARG (0.53) TSHRKDM4EMEN1KMT2ACYP3A4
SCHEMBL18031318 0.81 CYP4A11 (0.54) CYP4A11TSHRKDM4EMEN1KMT2A
SCHEMBL3550555 0.81 TSHR (0.45) TSHRKDM4EMEN1KMT2ACYP3A4
SCHEMBL16533305 0.81 CYP4A11 (0.58) CYP4A11TSHRMEN1KMT2ACYP4F2

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 CYP4A11 4724/4885TSHR 3540/4885KDM4E 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.