SCHEMBL3417544

SCHEMBL3417544

CC(C)C(C)c1ccccc1[O]

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.37
GABRB2 P47870 2/20 0.37
TSHR P16473 2/20 0.33
FAAH O00519 2/20 0.33
LMNA P02545 2/20 0.33
GABRG2 P18507 2/20 0.33
GABRB3 P28472 2/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
HPGD P15428 1/20 0.33
GABRB1 P18505 1/20 0.33
PTGS1 P23219 1/20 0.33
SLC6A2 P23975 1/20 0.33
HTR2C P28335 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
HTR2B P41595 1/20 0.33
GABRA2 P47869 1/20 0.33

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
SCHEMBL9737175 0.83 GABRA1 (0.43) GABRA1GABRB2TSHRFAAHLMNA
SCHEMBL14830645 0.79 FFAR1 (0.42) GABRA1GABRB2TSHRFAAHLMNA
SCHEMBL2544954 0.78 GABRA1 (0.40) GABRA1GABRB2TSHRFAAHLMNA
SCHEMBL396706 0.78 GABRA1 (0.52) GABRA1GABRB2TSHRFAAHLMNA
SCHEMBL6829698 0.74 GABRA1 (0.37) GABRA1GABRB2TSHRFAAHLMNA
SCHEMBL19640328 0.74 GABRA1 (0.37) GABRA1GABRB2TSHRFAAHLMNA
SCHEMBL20146402 0.74 GABRA1 (0.37) GABRA1GABRB2TSHRFAAHLMNA
SCHEMBL98101 0.74 CYP2D6 (0.46) GABRA1GABRB2TSHRLMNACYP1A2
SCHEMBL810349 0.74 GABRA1 (0.42) GABRA1GABRB2TSHRFAAHLMNA
SCHEMBL18568074 0.74 ESR1 (0.52) GABRA1GABRB2TSHRCA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116194552-A Cyclic phosphazene compounds having oxaphosphaphenanthrene-containing ring structure 株式会社伏见制药所 2023-05-30 CN 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

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 GABRA1 4017/4885GABRB2 3821/4885TSHR 4581/4885

“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.