SCHEMBL3419449

SCHEMBL3419449

CCCC(c1cc(C(C)(C)C)c(OC#N)cc1C)c1cc(C(C)(C)C)c(OC#N)cc1C

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
ALOX15 P16050 1/20 0.57
CYP2C19 P33261 1/20 0.57

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
SCHEMBL19118609 0.78 TP53 (0.61) TP53CYP2D6CYP2C9ALOX15CYP2C19
SCHEMBL9847751 0.77 TP53 (0.47) TP53CYP2D6CYP2C9ALOX15CYP2C19
SCHEMBL15890455 0.77 TP53 (0.59) TP53CYP2D6CYP2C9ALOX15CYP2C19
SCHEMBL823108 0.77 TP53 (0.56) TP53CYP2D6CYP2C9ALOX15CYP2C19
SCHEMBL16790543 0.77 CYP2D6 (0.59) TP53CYP2D6CYP2C9ALOX15CYP2C19
SCHEMBL3418296 0.76 TP53 (0.35) TP53CYP2D6CYP2C9ALOX15CYP2C19
SCHEMBL22215907 0.76 CYP2D6 (0.55) TP53CYP2D6CYP2C9ALOX15CYP2C19
SCHEMBL16790538 0.76 TP53 (0.55) TP53CYP2D6CYP2C9ALOX15CYP2C19
SCHEMBL8738063 0.76 ALOX15 (0.79) TP53CYP2D6CYP2C9ALOX15CYP2C19
SCHEMBL3418023 0.75 CYP2D6 (0.43) TP53CYP2D6CYP2C9ALOX15CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5705548-A AROMATIC DICYANATE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-01-06 US claimed
EP-0781821-A2 Polyester powder coating composition SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1997-07-02 EP claimed
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
EP-0739879-B1 Halogen-containing cyanate ester, process for producing the same and thermosetting resin composition containing the same SUMITOMO CHEMICAL CO (JP) 1999-12-22 EP disclosed
US-5705548-A AROMATIC DICYANATE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-01-06 US disclosed
EP-0781821-A2 Polyester powder coating composition SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1997-07-02 EP disclosed
EP-0739879-A1 Halogen-containing cyanate ester, process for producing the same and thermosetting resin composition containing the same SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1996-10-30 EP 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.