SCHEMBL14740537

SCHEMBL14740537

C=CC(c1ccccc1)c1ccccc1OC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.40
MAPT P10636 5/20 0.40
CYP3A4 P08684 3/20 0.40
ALOX15 P16050 3/20 0.40
HPGD P15428 6/20 0.38
HSD17B10 Q99714 5/20 0.38
TDP1 Q9NUW8 3/20 0.38
USP2 O75604 2/20 0.38
TP53 P04637 2/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.38
KMT2A Q03164 2/20 0.38
ALOX12 P18054 1/20 0.38
MEN1 O00255 1/20 0.38
CYP2C19 P33261 1/20 0.37
ELANE P08246 1/20 0.36
PTGS2 P35354 2/20 0.34
ESR1 P03372 1/20 0.34
ITGB3 P05106 1/20 0.34
ITGA2B P08514 1/20 0.34

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
SCHEMBL14375353 0.84 ELANE (0.40) KDM4EMAPTCYP3A4ALOX15HPGD
SCHEMBL8846909 0.75 TYR (0.42) KDM4EHPGDHSD17B10TDP1ALDH1A1
SCHEMBL6278245 0.75 ALDH1A1 (0.49) KDM4EMAPTCYP3A4ALOX15HPGD
SCHEMBL15232973 0.74 KDM4E (0.36) KDM4EMAPTCYP3A4ALOX15HPGD
SCHEMBL27432511 0.74 AKR1C3 (0.46) KDM4EMAPTCYP3A4ALOX15HPGD
SCHEMBL9242437 0.73 KDM4E (0.47) KDM4EMAPTCYP3A4ALOX15HPGD
SCHEMBL15104783 0.73 PTGS2 (0.38) KDM4EHPGDHSD17B10TDP1ALDH1A1
SCHEMBL9542306 0.72 KDM4E (0.41) KDM4EMAPTCYP3A4ALOX15HPGD
SCHEMBL28054238 0.72 MAPT (0.40) KDM4EMAPTCYP3A4ALOX15HPGD
SCHEMBL667361 0.72 KDM4E (0.40) KDM4EMAPTHPGDHSD17B10TDP1

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-20130059952-A1 PHOSPHO-SUBSTITUTED ALKOXYAMINE COMPOUNDS BASF SE (DE) 2013-03-07 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-20130059952-A1 PHOSPHO-SUBSTITUTED ALKOXYAMINE COMPOUNDS PFAS, PHOSPHO1, PIK3CA KDM4E 1595/4885MAPT 676/4885CYP3A4 2362/4885

“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.