SCHEMBL8911580

SCHEMBL8911580

COc1cc(C(=O)O)c(C(=O)O)c(OC)c1OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.58
LCK P06239 1/20 0.52
FYN P06241 1/20 0.52
KDM4E B2RXH2 8/20 0.50
POLB P06746 2/20 0.50
TPMT P51580 1/20 0.49
MAPT P10636 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
PTPN1 P18031 1/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
ALDH1A1 P00352 6/20 0.46
HSD17B10 Q99714 5/20 0.46
HPGD P15428 4/20 0.46
USP2 O75604 1/20 0.46
LMNA P02545 1/20 0.46

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
SCHEMBL6394441 0.89 PKM (0.55) PKMLCKFYNKDM4EPOLB
SCHEMBL16181544 0.87 KDM4E (0.63) PKMLCKFYNKDM4EPOLB
SCHEMBL7828552 0.87 TSHR (0.47) PKMLCKFYNKDM4ETPMT
SCHEMBL16168327 0.84 HMGCR (0.54) PKMLCKFYNKDM4EPOLB
SCHEMBL1438926 0.84 PKM (0.62) PKMLCKFYNKDM4EPOLB
SCHEMBL4359214 0.84 HSD17B10 (0.50) PKMLCKFYNKDM4EPOLB
SCHEMBL4299733 0.82 PKM (0.60) PKMLCKFYNKDM4EPOLB
SCHEMBL9208560 0.82 PKM (0.49) PKMLCKFYNKDM4EPOLB
SCHEMBL9202476 0.82 PKM (0.46) PKMLCKFYNKDM4EPOLB
SCHEMBL4809375 0.81 PKM (0.48) PKMLCKFYNKDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9873661-B2 Small molecule malarial Aldolase-TRAP enhancers and glideosome inhibitors NEW YORK UNIVERSITY (US) 2018-01-23 US disclosed
US-9873661-B2 Small molecule malarial Aldolase-TRAP enhancers and glideosome inhibitors NEW YORK UNIVERSITY (US) 2018-01-23 US disclosed
US-20140275088-A1 SMALL MOLECULE MALARIAL ALDOLASE-TRAP ENHANCERS AND GLIDEOSOME INHIBITORS THE JOHNS HOPKINS UNIVERSITY 2014-09-18 US disclosed
US-20140275088-A1 SMALL MOLECULE MALARIAL ALDOLASE-TRAP ENHANCERS AND GLIDEOSOME INHIBITORS THE JOHNS HOPKINS UNIVERSITY 2014-09-18 US disclosed
WO-2013063243-A1 SMALL MOLECULE MALARIAL ALDOLASE-TRAP ENHANCERS AND GLIDEOSOME INHIBITORS NEW YORK UNIVERSITY (US) 2013-05-02 WO disclosed
US-5686633-A PHOTOSTABILIZERS CIBA SPECIALTY CHEMICALS CORPORATION (US) 1997-11-11 US disclosed
CN-1098428-A The China ink that is used for ink-jet printing CIBA GEIGY AG (CH) 1995-02-08 CN disclosed
CN-1026592-C Ink for ink jet printing CIBA GEIGY AG (CH) 1994-11-16 CN disclosed
EP-0373574-B1 Inks, especially for ink jet printing CIBA GEIGY AG (CH) 1994-09-14 EP disclosed
EP-0373573-B1 Recording material for ink jet printing CIBA GEIGY AG (CH) 1994-06-22 EP disclosed
US-5098477-A Aromatic ether derivatives as light stabilizers for organic materials CIBA-GEIGY CORPORATION (US) 1992-03-24 US disclosed
US-5073448-A Containing light stabilizers CIBA-GEIGY CORPORATION (US) 1991-12-17 US disclosed
CN-1043517-A Ink for ink jet printing CIBA GEIGY AG (CH) 1990-07-04 CN disclosed
EP-0373574-A1 Inks, especially for ink jet printing CIBA-GEIGY AG (CH) 1990-06-20 EP 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-20140275088-A1 SMALL MOLECULE MALARIAL ALDOLASE-TRAP ENHANCERS AND GLIDEOSOME INHIBITORS ALDOA, DERA, TALDO1 PKM 1603/4885LCK 4311/4885FYN 4492/4885

“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.