SCHEMBL3421140

SCHEMBL3421140

COCOc1ccc(C2(C)CC(C)(C)c3ccc(O)cc32)cc1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.34
ESR1 P03372 10/20 0.33
ESR2 Q92731 10/20 0.33
PDE4D Q08499 2/20 0.33
CYP26A1 O43174 2/20 0.33
CYP26B1 Q9NR63 1/20 0.33
PPARG P37231 1/20 0.33
OPRD1 P41143 1/20 0.33
ATM Q13315 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 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
SCHEMBL3412362 0.92 PPARG (0.35) CYP3A4ESR1CYP26A1CYP26B1PPARG
SCHEMBL3412367 0.85 ATM (0.45) CYP3A4ESR2PDE4DATMALDH1A1
SCHEMBL3418303 0.82 MMP1 (0.41) OPRD1ALDH1A1LMNA
SCHEMBL3421435 0.82 HIF1A (0.50) ATMALDH1A1LMNA
SCHEMBL728580 0.82 ALDH1A1 (0.38) CYP3A4ESR1ESR2OPRD1ALDH1A1
SCHEMBL29459356 0.82 ALDH1A1 (0.38) CYP3A4ESR1ESR2OPRD1ALDH1A1
SCHEMBL7996188 0.82 ALDH1A1 (0.38) CYP3A4ESR1ESR2OPRD1ALDH1A1
SCHEMBL7996227 0.82 ALDH1A1 (0.38) CYP3A4ESR1ESR2OPRD1ALDH1A1
SCHEMBL3421226 0.80 ATM (0.42) ESR1ESR2CYP26A1ATM
SCHEMBL11405742 0.79 LTA4H (0.45) ESR1ESR2ATMALDH1A1

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-7767739-B2 Cyanato group-containing cyclic phosphazene compound and method for producing the same FUSHIMI PHARMACEUTICAL CO., LTD. (JP) 2010-08-03 US disclosed
US-20090170983-A1 Cyanato Group-Containing Cyclic Phosphazene Compound and Method for Producing The Same FUSHIMI PHARMACEUTICAL CO., LTD. (JP) 2009-07-02 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-20090170983-A1 Cyanato Group-Containing Cyclic Phosphazene Compound and Method for Producing The Same CENPE, CPNE4, MCM3 CYP3A4 2229/4885ESR1 3389/4885ESR2 3003/4885

“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.