SCHEMBL14564367

SCHEMBL14564367

COC(=O)Cc1cncc2cc(C)ccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.40
KDM4E B2RXH2 4/20 0.40
HPGD P15428 3/20 0.40
GLA P06280 2/20 0.40
MAPT P10636 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
LMNA P02545 2/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
PDE10A Q9Y233 2/20 0.39
GAA P10253 1/20 0.39
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TSHR P16473 1/20 0.37
VEGFA P15692 1/20 0.36
FLT1 P17948 1/20 0.36

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
SCHEMBL14564419 0.84 MAPT (0.50) ALDH1A1KDM4EMAPTSMN1; SMN2GAA
SCHEMBL14564364 0.79 L3MBTL1 (0.52) KDM4ELMNAATML3MBTL1MEN1
SCHEMBL11460746 0.77 KDM4E (0.45) ALDH1A1KDM4EHPGDGLAMAPT
SCHEMBL4807855 0.76 CYP11B1 (0.41) ALDH1A1KDM4EGLASMN1; SMN2LMNA
SCHEMBL11459209 0.75 ALDH1A1 (0.44) ALDH1A1KDM4EHPGDGLAGAA
Hydrochloric Acid SCHEMBL4809984 0.75 CYP11B1 (0.41) ALDH1A1KDM4EGLASMN1; SMN2LMNA
SCHEMBL4811504 0.75 CYP11B1 (0.43) ALDH1A1KDM4EHPGDMAPTSMN1; SMN2
SCHEMBL11468705 0.74 KDM4E (0.40) ALDH1A1KDM4EHPGDGLAMAPT
SCHEMBL11472665 0.74 KDM4E (0.40) ALDH1A1KDM4EHPGDGLAMAPT
SCHEMBL11461312 0.74 SLC2A1 (0.43) ALDH1A1KDM4EHPGDGLAMAPT

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-20070054902-A1 Isoxazole derivatives as peroxisome proliferator-activated receptors agonists SHIONOGI & CO., LTD. (JP) 2007-03-08 US disclosed
US-20070054902-A1 Isoxazole derivatives as peroxisome proliferator-activated receptors agonists SHIONOGI & CO., LTD. (JP) 2007-03-08 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-20070054902-A1 Isoxazole derivatives as peroxisome proliferator-activated receptors agonists NR1H3, NR1H2, RXRA ALDH1A1 1698/4885KDM4E 3202/4885HPGD 1703/4885

“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.