SCHEMBL3421076

SCHEMBL3421076

CC(C)c1cc(Oc2ccc(OC#N)c(C(C)C)c2)ccc1OC#N

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
THRB P10828 6/20 0.40
RORC P51449 2/20 0.40
AR P10275 3/20 0.40
P2RX3 P56373 1/20 0.38
P2RX2 Q9UBL9 1/20 0.38
CYP2D6 P10635 2/20 0.34
THRA P10827 4/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
ADRA2A P08913 1/20 0.33
ADRA1A P35348 1/20 0.33
SLC22A12 Q96S37 1/20 0.32
MEN1 O00255 1/20 0.32
MAPK1 P28482 1/20 0.32
BLM P54132 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL3459555 0.80 CYP2D6 (0.35) CYP2D6ADRA2AADRA1AMEN1MAPK1
SCHEMBL22812981 0.80 ALDH1A1 (0.40) MAPTHPGDMEN1MAPK1KMT2A
SCHEMBL28852756 0.80 LMNA (0.34)
SCHEMBL3420843 0.79 LMNA (0.30)
SCHEMBL3421487 0.77 CA2 (0.40) THRBRORCTHRAKMT2A
SCHEMBL3417950 0.77 MAOA (0.35) AR
SCHEMBL29664139 0.76 RORC (0.39) RORCAR
SCHEMBL3421381 0.76 RORC (0.39) RORCAR
SCHEMBL3419472 0.76 AR (0.41) ARMAPTHPGDMEN1KMT2A
SCHEMBL3414349 0.75 TSHR (0.43) MAPTSLC22A12MAPK1KMT2A

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 THRB 4767/4885RORC 3357/4885AR 3451/4885

“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.