SCHEMBL3418296

SCHEMBL3418296

CCCC(c1ccc(OC#N)c(C(C)(C)C)c1)c1ccc(OC#N)c(C(C)(C)C)c1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
ALOX15 P16050 1/20 0.35
CYP2C19 P33261 1/20 0.35
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.31
CTSS P25774 1/20 0.30
CTSK P43235 1/20 0.30

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
SCHEMBL3415727 0.81 TAS1R3 (0.33) PDE4APDE4BPDE4CPDE4D
SCHEMBL3414974 0.80
SCHEMBL3418290 0.78 CALM1 (0.32) PDE4APDE4BPDE4CPDE4D
SCHEMBL8822690 0.76 TP53 (0.40) TP53CYP2D6CYP2C9ALOX15CYP2C19
SCHEMBL3419449 0.76 TP53 (0.57) TP53CYP2D6CYP2C9ALOX15CYP2C19
SCHEMBL27474843 0.75 CNR1 (0.35) PTGDR2CTSSCTSK
SCHEMBL3420429 0.74 L3MBTL1 (0.36) PTGDR2
SCHEMBL3418031 0.72 CA2 (0.40) TP53ALOX15PTGDR2
SCHEMBL8088903 0.72 ALOX15 (0.55) TP53CYP2D6CYP2C9ALOX15CYP2C19
SCHEMBL3421152 0.72 CYP19A1 (0.35)

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2597114-B1 Organic-inorganic composite materials containing triazine rings and electrical devices using the same HITACHI LTD (JP) 2017-03-15 EP disclosed
US-9090796-B2 Organic-inorganic composite materials containing triazine rings and electrical devices using the same HITACHI, LTD. (JP) 2015-07-28 US disclosed
EP-2597114-A1 Organic-inorganic composite materials containing triazine rings and electrical devices using the same Hitachi Ltd. (JP) 2013-05-29 EP disclosed
US-20130131248-A1 ORGANIC-INORGANIC COMPOSITE MATERIALS CONTAINING TRIAZINE RINGS AND ELECTRICAL DEVICES USING THE SAME HITACHI, LTD. (JP) 2013-05-23 US disclosed
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
US-6225492-B1 CONTACTING CYANATE CRUDE PRODUCT SOLUTION COMPRISING CYANATE, UNSUBSTITUTED PHENOL AND NON-ALCOHOLIC SOLVENT WITH POOR SOLVENT CONTAINING ALCOHOL AND WATER TO CRYSTALLIZE OR PRECIPITATE SAID CYANATE SUMITOMO CHEMICAL CO., LTD. (JP) 2001-05-01 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 TP53 2390/4885CYP2D6 4754/4885CYP2C9 3033/4885

“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.