SCHEMBL9945555

SCHEMBL9945555

C=C(C)C(C)(C)c1ccccc1OC=O

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.39
ATM Q13315 1/20 0.39
ALDH1A1 P00352 5/20 0.33
TSHR P16473 1/20 0.33
TLR2 O60603 1/20 0.31
ERN1 O75460 1/20 0.31
TLR1 Q15399 1/20 0.31
TLR6 Q9Y2C9 1/20 0.31
KDM4E B2RXH2 4/20 0.31
GAA P10253 2/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
RXRA P19793 1/20 0.31
RXRB P28702 1/20 0.31
RXRG P48443 1/20 0.31
ELANE P08246 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL9945641 0.85 TDP1 (0.36) TDP1ATMALDH1A1TSHRTLR2
SCHEMBL18415682 0.78 ALDH1A1 (0.45) TDP1ATMALDH1A1TSHRKDM4E
SCHEMBL9945569 0.78 TDP1 (0.50) TDP1ATMALDH1A1TSHRKDM4E
SCHEMBL28774590 0.77 TDP1 (0.44) TDP1ATMALDH1A1TSHRKDM4E
SCHEMBL13334683 0.75 INPPL1 (0.44) TDP1ATMALDH1A1KDM4E
SCHEMBL13334667 0.74 ALDH1A1 (0.35) TDP1ATMALDH1A1TSHRKDM4E
SCHEMBL11443930 0.72 ALDH1A1 (0.58) TDP1ATMALDH1A1TSHRKDM4E
SCHEMBL1996546 0.71 PPARG (0.41) TDP1ALDH1A1GAARXRARXRB
SCHEMBL4030202 0.70 ALDH1A1 (0.33) ALDH1A1KDM4E
SCHEMBL21662421 0.70 ALDH1A1 (0.38) TDP1ATMALDH1A1TSHRKDM4E

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-8946144-B2 Phosphonated glycopeptide and lipoglycopeptide antibiotics and uses thereof for the prevention and treatment of bone and joint infections THE MEDICINES COMPANY (US) 2015-02-03 US disclosed
US-8901072-B2 Glycopeptide and lipoglycopeptide antibiotics with improved solubility THE MEDICINES COMPANY (US) 2014-12-02 US disclosed
US-8404664-B2 Phosphonated Rifamycins and uses thereof for the prevention and treatment of bone and joint infections TARGANTA THERAPEUTICS, INC. (CA) 2013-03-26 US disclosed
US-20120149632-A1 GLYCOPEPTIDE AND LIPOGLYCOPEPTIDE ANTIBIOTICS WITH IMPROVED SOLUBILITY THE MEDICINES COMPANY (US) 2012-06-14 US disclosed
US-20110263534-A1 PHOSPHONATED RIFAMYCINS AND USES THEREOF FOR THE PREVENTION AND TREATMENT OF BONE AND JOINT INFECTIONS TARGANTA THERAPEUTICS, INC. 2011-10-27 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-20120149632-A1 GLYCOPEPTIDE AND LIPOGLYCOPEPTIDE ANTIBIOTICS WITH IMPROVED SOLUBILITY NGLY1, LGALS3BP, GYPA TDP1 3648/4885ATM 4766/4885ALDH1A1 4197/4885
US-20110263534-A1 PHOSPHONATED RIFAMYCINS AND USES THEREOF FOR THE PREVENTION AND TREATMENT OF BONE AND JOINT INFECTIONS BPGM, SOST, PSPH TDP1 3195/4885ATM 2373/4885ALDH1A1 3493/4885

“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.