SCHEMBL3418303

SCHEMBL3418303

C=CCOc1ccc(C2(C)CC(C)(C)c3ccc(O)cc32)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
GAA P10253 4/20 0.38
MGAM O43451 3/20 0.38
SI P14410 3/20 0.38
MGAM2 Q2M2H8 3/20 0.38
OPRM1 P35372 3/20 0.36
OPRD1 P41143 3/20 0.36
OPRK1 P41145 3/20 0.36
SLC5A1 P13866 1/20 0.36
SLC5A2 P31639 1/20 0.36
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
MAPT P10636 3/20 0.36
ALDH1A1 P00352 2/20 0.36
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
TP53 P04637 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
SCHEMBL3419022 0.93 MMP1 (0.39) MMP1MMP2MMP9GAAMGAM
SCHEMBL3421140 0.82 CYP3A4 (0.34) OPRD1ALDH1A1LMNA
SCHEMBL3421435 0.81 HIF1A (0.50) MMP2MMP9GAAMAPTALDH1A1
SCHEMBL3412367 0.80 ATM (0.45) MAPTALDH1A1NPC1RAB9ATP53
SCHEMBL7996188 0.80 ALDH1A1 (0.38) MMP2MMP9OPRM1OPRD1OPRK1
SCHEMBL29459356 0.80 ALDH1A1 (0.38) MMP2MMP9OPRM1OPRD1OPRK1
SCHEMBL728580 0.80 ALDH1A1 (0.38) MMP2MMP9OPRM1OPRD1OPRK1
SCHEMBL7996227 0.80 ALDH1A1 (0.38) MMP2MMP9OPRM1OPRD1OPRK1
SCHEMBL3417199 0.77 SLC6A2 (0.35) ALDH1A1MEN1LMNAKMT2A
SCHEMBL11405742 0.77 LTA4H (0.45) MMP1MMP2MMP9ALDH1A1NPC1

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 MMP1 4813/4885MMP2 4814/4885MMP9 4604/4885

“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.