SCHEMBL7531090

SCHEMBL7531090

CC(C)(C)OC(=O)Oc1ccccc1I

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 3/20 0.46
FABP7 O15540 1/20 0.42
FABP3 P05413 1/20 0.42
FABP5 Q01469 1/20 0.42
KDM4E B2RXH2 3/20 0.39
HSD17B10 Q99714 3/20 0.39
HPGD P15428 2/20 0.39
MTNR1A P48039 2/20 0.36
MTNR1B P49286 2/20 0.36
BRD4 O60885 1/20 0.35
BCHE P06276 1/20 0.35
ALDH1A1 P00352 3/20 0.35
KDM1A O60341 1/20 0.35
TDP1 Q9NUW8 3/20 0.34
ATM Q13315 1/20 0.34
TSHR P16473 2/20 0.33
AKT1 P31749 1/20 0.33
ESR1 P03372 1/20 0.33
ITGB3 P05106 1/20 0.33
ITGA2B P08514 1/20 0.33

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
SCHEMBL27018562 0.88 ELANE (0.42) ELANEFABP7FABP3FABP5KDM4E
SCHEMBL7714404 0.83 ELANE (0.41) ELANEFABP7FABP3FABP5KDM4E
SCHEMBL7866345 0.82 FABP7 (0.50) ELANEFABP7FABP3FABP5KDM4E
SCHEMBL20382703 0.80 ELANE (0.47) ELANEKDM4EHSD17B10HPGDBCHE
SCHEMBL29391949 0.80 CA12 (0.48) ELANEKDM4EHSD17B10HPGDMTNR1A
SCHEMBL27259478 0.80 ELANE (0.47) ELANEKDM4EHSD17B10MTNR1AMTNR1B
SCHEMBL8101855 0.80 ELANE (0.47) ELANEKDM4EHSD17B10HPGDALDH1A1
SCHEMBL14894503 0.80 ELANE (0.47) ELANEKDM4EHSD17B10HPGDMTNR1A
SCHEMBL30711978 0.80 CA12 (0.48) ELANEKDM4EHSD17B10HPGDMTNR1A
SCHEMBL26667020 0.79 KDM4E (0.59) FABP7FABP3FABP5KDM4EHSD17B10

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-20020041976-A1 Novel compounds and their manufacture and use ANDERSON SALLY (GB) 2002-04-11 US disclosed
EP-1138713-A2 Compounds and their manufacture and use Sharp Kabushiki Kaisha (JP) 2001-10-04 EP 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-20020041976-A1 Novel compounds and their manufacture and use TRPC3, SLC43A1, TDO2 ELANE 2072/4885FABP7 1442/4885FABP3 3224/4885

“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.