SCHEMBL16077693

SCHEMBL16077693

Cc1cc(CO)c(OCc2ccccc2)cc1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.52
RXRB P28702 1/20 0.52
RXRG P48443 1/20 0.52
MCL1 Q07820 2/20 0.52
ELANE P08246 4/20 0.51
F2 P00734 1/20 0.51
PTGER1 P34995 1/20 0.50
FOLH1 Q04609 1/20 0.50
CTSG P08311 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
POLB P06746 1/20 0.49
FFAR4 Q5NUL3 1/20 0.48
MAPT P10636 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CTSV O60911 1/20 0.45

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
SCHEMBL3112448 0.87 RXRA (0.59) RXRARXRBRXRGMCL1PTGER1
SCHEMBL13991640 0.83 FOLH1 (0.53) MCL1ELANEF2PTGER1FOLH1
SCHEMBL26158674 0.82 MAOB (0.56) ELANEF2CTSGL3MBTL1MAPT
SCHEMBL7825765 0.82 CTSV (0.58) RXRARXRBRXRGMCL1PTGER1
SCHEMBL23796879 0.80 MEN1 (0.52) ELANEF2CTSG
SCHEMBL27382524 0.79 MCL1 (0.48) RXRARXRBRXRGMCL1PTGER1
SCHEMBL12659905 0.79 MCL1 (0.60) RXRARXRBRXRGMCL1PTGER1
SCHEMBL591616 0.79 FOLH1 (0.55) RXRARXRBRXRGMCL1PTGER1
SCHEMBL10089235 0.78 FOLH1 (0.69) MCL1PTGER1FOLH1L3MBTL1KDM4E
SCHEMBL18209404 0.78 MEN1 (0.50) RXRARXRBRXRGMCL1L3MBTL1

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 2 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-20140275088-A1 SMALL MOLECULE MALARIAL ALDOLASE-TRAP ENHANCERS AND GLIDEOSOME INHIBITORS THE JOHNS HOPKINS UNIVERSITY 2014-09-18 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 (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 RXRA 4396/4885RXRB 4154/4885RXRG 4411/4885

“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.