SCHEMBL9945576

SCHEMBL9945576

COCc1oc(=O)oc1Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTRC Q99895 3/20 0.40
LTA4H P09960 1/20 0.39
GPR55 Q9Y2T6 4/20 0.38
TEK Q02763 1/20 0.37
CNR2 P34972 1/20 0.37
CALM1 P0DP23 1/20 0.37
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
MEN1 O00255 1/20 0.35
ELANE P08246 1/20 0.35
KMT2A Q03164 1/20 0.35
IDH1 O75874 1/20 0.35

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
SCHEMBL29074286 0.85 CALM1 (0.50) CTRCGPR55CALM1MEN1ELANE
SCHEMBL9945573 0.81 ALDH1A1 (0.57) ALDH1A1IDH1
SCHEMBL9945574 0.80 TP53 (0.43) CTRCGPR55CNR2CALM1MEN1
SCHEMBL8233984 0.80 CALM1 (0.41) CTRCLTA4HGPR55TEKCNR2
SCHEMBL13333915 0.79 ALDH1A1 (0.42) ALDH1A1KMT2AIDH1
SCHEMBL10006132 0.77 CTRC (0.43) CTRCGPR55CALM1ALDH1A1MEN1
SCHEMBL12849614 0.77 TSHR (0.43) CTRCCALM1MEN1ELANEKMT2A
SCHEMBL15161586 0.76 ABCG2 (0.41) KDM4EALDH1A1POLBGAAMEN1
SCHEMBL8233981 0.73 CALM1 (0.41) CTRCGPR55CALM1MEN1ELANE
SCHEMBL794 0.68

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 6 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-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-8901072-B2 Glycopeptide and lipoglycopeptide antibiotics with improved solubility THE MEDICINES COMPANY (US) 2014-12-02 US disclosed
US-20120149632-A1 GLYCOPEPTIDE AND LIPOGLYCOPEPTIDE ANTIBIOTICS WITH IMPROVED SOLUBILITY THE MEDICINES COMPANY (US) 2012-06-14 US disclosed
US-20100113333-A1 PHOSPHONATED GLYCOPEPTIDE AND LIPOGLYCOPEPTIDE ANTIBIOTICS AND USES THEREOF FOR THE PREVENTION AND TREATMENT OF BONE AND JOINT INFECTIONS TARGANTA THERAPEUTICS, INC. (CA) 2010-05-06 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-20100113333-A1 PHOSPHONATED GLYCOPEPTIDE AND LIPOGLYCOPEPTIDE ANTIBIOTICS AND USES THEREOF FOR THE PREVENTION AND TREATMENT OF BONE AND JOINT INFECTIONS PGLS, BPGM, PAG1 CTRC 4065/4885LTA4H 827/4885GPR55 2291/4885
US-20120149632-A1 GLYCOPEPTIDE AND LIPOGLYCOPEPTIDE ANTIBIOTICS WITH IMPROVED SOLUBILITY NGLY1, LGALS3BP, GYPA CTRC 2181/4885LTA4H 282/4885GPR55 3158/4885

“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.