SCHEMBL3416016

SCHEMBL3416016

Cc1cc(C(C)(C)C)c(OC#N)c(S(=O)(=O)c2cc(C)cc(C(C)(C)C)c2OC#N)c1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
CA2 P00918 1/20 0.36
POLB P06746 1/20 0.36
TYR P14679 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31

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
SCHEMBL3415521 0.80 SMN1; SMN2 (0.41) ALDH1A1CA2POLBTYRSMN1; SMN2
SCHEMBL3421216 0.77 SMN1; SMN2 (0.38) ALDH1A1CA2POLBTYRSMN1; SMN2
SCHEMBL3419666 0.75 SMN1; SMN2 (0.37) ALDH1A1CA2POLBTYRSMN1; SMN2
SCHEMBL7918964 0.75 HSPA5 (0.50) ALDH1A1CA2POLBTYRSMN1; SMN2
SCHEMBL3421497 0.74 SMN1; SMN2 (0.36) ALDH1A1CA2POLBTYRSMN1; SMN2
SCHEMBL15436154 0.70 CYP1A2 (0.31) ALDH1A1SMN1; SMN2CYP3A4
SCHEMBL3418023 0.69 CYP2D6 (0.43) ALDH1A1CA2POLBTYRSMN1; SMN2
SCHEMBL7200072 0.68 SMN1; SMN2 (0.65) ALDH1A1CA2POLBTYRSMN1; SMN2
SCHEMBL28833258 0.67 SMN1; SMN2 (0.50) ALDH1A1CA2POLBTYRSMN1; SMN2
SCHEMBL28142679 0.67 SMN1; SMN2 (0.50) ALDH1A1CA2POLBTYRSMN1; SMN2

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 ALDH1A1 4254/4885CA2 261/4885POLB 2553/4885

“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.