SCHEMBL3414927

SCHEMBL3414927

CC(C)(C)Oc1ccc(CCc2ccc(O)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 6/20 0.56
ESR2 Q92731 3/20 0.56
CALM1 P0DP23 2/20 0.53
KDM4E B2RXH2 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
LTA4H P09960 1/20 0.47
PPARA Q07869 2/20 0.46
CA2 P00918 1/20 0.45
TMEM97 Q5BJF2 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
CYP19A1 P11511 1/20 0.44
ADRA2A P08913 3/20 0.43
SLC6A2 P23975 3/20 0.43
ALDH1A1 P00352 2/20 0.43
HTR1A P08908 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTR3A P46098 1/20 0.43
BACE1 P56817 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43

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
SCHEMBL3420523 0.88 ESR1 (0.56) ESR1ESR2CALM1KDM4EMEN1
SCHEMBL57369 0.87 MEN1 (0.57) ESR1ESR2KDM4EMEN1KMT2A
SCHEMBL6667517 0.82 PPARA (0.66) CALM1KDM4EPPARACA2ALDH1A1
SCHEMBL19491810 0.81 ESR2 (0.58) ESR1ESR2KDM4EMEN1KMT2A
SCHEMBL3417993 0.81 ESR2 (0.58) ESR1ESR2KDM4EMEN1KMT2A
SCHEMBL3421064 0.81 ESR2 (0.64) ESR1ESR2KDM4EMEN1KMT2A
SCHEMBL7729335 0.80 GPR84 (0.59) ESR1ESR2CALM1KDM4ELTA4H
SCHEMBL91178 0.79 THRB (0.46) KMT2APPARACA2ALDH1A1TAAR1
SCHEMBL14998990 0.79 PPARA (0.44) CALM1PPARASLC6A2ALDH1A1TAAR1
SCHEMBL3451212 0.78 PPARA (0.68) CALM1MEN1KMT2ALTA4HPPARA

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 ESR1 3389/4885ESR2 3003/4885CALM1 1763/4885

“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.