SCHEMBL9946136

SCHEMBL9946136

CC(=O)Oc1ccccc1C1OC(C)(C)C(C)(C)O1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.48
KDM4E B2RXH2 3/20 0.45
HIF1A Q16665 1/20 0.45
PTGS2 P35354 5/20 0.45
HSD17B10 Q99714 2/20 0.45
ALDH1A1 P00352 1/20 0.45
ESR1 P03372 1/20 0.45
ITGB3 P05106 1/20 0.45
ITGA2B P08514 1/20 0.45
HMGB1 P09429 1/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45
GGT1 P19440 1/20 0.45
PTGS1 P23219 1/20 0.45
BLM P54132 1/20 0.45
NAPRT Q6XQN6 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
ACHE P22303 1/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41

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
SCHEMBL9946155 0.81 ELANE (0.38) L3MBTL1KDM4EHIF1AHSD17B10HPGD
SCHEMBL11096418 0.79 L3MBTL1 (0.59) L3MBTL1KDM4EHIF1APTGS2HSD17B10
SCHEMBL9946129 0.75 CNR2 (0.35) KDM4EALDH1A1HPGDLMNACYP1A2
SCHEMBL29432883 0.72 PTGS2 (0.68) KDM4EPTGS2HSD17B10ALDH1A1ESR1
SCHEMBL338196 0.72 PTGS2 (0.68) KDM4EPTGS2HSD17B10ALDH1A1ESR1
SCHEMBL7597186 0.71 L3MBTL1 (0.51) L3MBTL1KDM4EHIF1APTGS2HSD17B10
SCHEMBL521227 0.71 PTGS2 (0.45) L3MBTL1KDM4EPTGS2HSD17B10ALDH1A1
SCHEMBL9946151 0.71 NR3C1 (0.41) KDM4EHSD17B10ALDH1A1HPGDTSHR
SCHEMBL8101283 0.71 KDM4E (0.45) L3MBTL1KDM4EHIF1APTGS2HSD17B10
Iodide SCHEMBL30619798 0.70 PTGS2 (0.65) KDM4EPTGS2HSD17B10ALDH1A1ESR1

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-20120149693-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2012-06-14 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-20120149693-A1 THERAPEUTIC COMPOUNDS HTR2C, GRK2, GRK3 L3MBTL1 4393/4885KDM4E 4270/4885HIF1A 2800/4885

“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.