SCHEMBL13558693

SCHEMBL13558693

O=C(O)c1ccc2cc(C3OCO3)ccc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 3/20 0.42
MAPK1 P28482 2/20 0.42
HPGD P15428 2/20 0.41
HSD17B10 Q99714 2/20 0.41
ENPP2 Q13822 1/20 0.41
RARB P10826 8/20 0.40
RARG P13631 8/20 0.40
RARA P10276 6/20 0.40
CYP26A1 O43174 1/20 0.40
CYP26B1 Q9NR63 1/20 0.40
PTPN1 P18031 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38
ALOX15 P16050 1/20 0.38
ALOX12 P18054 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL264275 0.77 KMO (0.53) KDM4EALDH1A1MAPK1HPGDHSD17B10
SCHEMBL6916181 0.75 KDM4E (0.68) KDM4EALDH1A1HPGDHSD17B10ENPP2
SCHEMBL29359975 0.75 KDM4E (0.68) KDM4EALDH1A1HPGDHSD17B10ENPP2
SCHEMBL18758 0.75 KDM4E (0.68) KDM4EALDH1A1HPGDHSD17B10ENPP2
SCHEMBL29594563 0.75 KDM4E (0.68) KDM4EALDH1A1HPGDHSD17B10ENPP2
SCHEMBL8185981 0.75 TSHR (0.46) ALDH1A1MAPK1HPGDTP53ALOX15
Hydrochloric Acid SCHEMBL1681545 0.73 KDM4E (0.65) KDM4EALDH1A1HPGDHSD17B10ENPP2
SCHEMBL1886411 0.73 KDM4E (0.65) KDM4EALDH1A1HPGDHSD17B10ENPP2
SCHEMBL20942846 0.73 KDM4E (0.65) KDM4EALDH1A1HPGDHSD17B10ENPP2
Bromide SCHEMBL8758652 0.73 KDM4E (0.65) KDM4EALDH1A1HPGDHSD17B10ENPP2

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-20120277454-A1 IHM-2 ORGANIC-INORGANIC HYBRID MATERIAL AND PROCESSES FOR PREPARATION CNRS (FR) 2012-11-01 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-20120277454-A1 IHM-2 ORGANIC-INORGANIC HYBRID MATERIAL AND PROCESSES FOR PREPARATION BMP2, BMPR2, HAO2 KDM4E 2670/4885ALDH1A1 3530/4885MAPK1 4259/4885

“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.