SCHEMBL13643137

SCHEMBL13643137

CC(Cc1ccc(OCc2ccccc2)c(C(=O)O)c1)C(=O)OCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 4/20 0.62
ALDH1A1 P00352 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
KDM4E B2RXH2 1/20 0.51
POLB P06746 1/20 0.51
CTSV O60911 1/20 0.45
CTSL P07711 1/20 0.45
PTGER1 P34995 3/20 0.44
MRGPRX4 Q96LA9 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44
PTGER4 P35408 1/20 0.43
PTGER3 P43115 1/20 0.43
PTGER2 P43116 1/20 0.43
MCL1 Q07820 2/20 0.43
KMT2A Q03164 1/20 0.43
LTA4H P09960 1/20 0.43
LAP3 P28838 1/20 0.43
HTT P42858 1/20 0.42
MAPT P10636 1/20 0.42
CYP2C9 P11712 1/20 0.42

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
SCHEMBL14870833 1.00 FOLH1 (0.62) FOLH1ALDH1A1L3MBTL1KDM4EPOLB
SCHEMBL13643136 0.88 FOLH1 (0.48) FOLH1ALDH1A1L3MBTL1KDM4EPOLB
SCHEMBL14870834 0.88 FOLH1 (0.48) FOLH1ALDH1A1L3MBTL1KDM4EPOLB
SCHEMBL8079907 0.87 FOLH1 (0.68) FOLH1ALDH1A1L3MBTL1KDM4EPOLB
SCHEMBL14870838 0.86 S1PR5 (0.53) FOLH1ALDH1A1CTSVCTSLPTGER1
SCHEMBL13643141 0.86 S1PR5 (0.53) FOLH1ALDH1A1CTSVCTSLPTGER1
SCHEMBL18082677 0.84 RXRA (0.49) FOLH1ALDH1A1L3MBTL1PTGER1MRGPRX4
SCHEMBL14870836 0.83 ERN1 (0.44) FOLH1ALDH1A1KDM4EPTGER1FFAR4
SCHEMBL13643138 0.83 ERN1 (0.44) FOLH1ALDH1A1KDM4EPTGER1FFAR4
SCHEMBL13643146 0.82 XDH (0.52)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120283287-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS QIAN XIANGPING (US) 2012-11-08 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-20120283287-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS KIF5B, KIF2C, PLK1 FOLH1 1919/4885ALDH1A1 2159/4885L3MBTL1 2781/4885

“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.