SCHEMBL3414960

SCHEMBL3414960

CC(C)(C)c1cc(C2(C)CC(C)(C)c3ccc(O)cc32)cc(C(C)(C)C)c1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.38
HTT P42858 3/20 0.38
LMNA P02545 3/20 0.38
TYR P14679 2/20 0.38
ALOX15 P16050 2/20 0.38
NR1I2 O75469 1/20 0.38
CYP2C9 P11712 1/20 0.38
MIF P14174 1/20 0.38
NFE2L2 Q16236 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CA2 P00918 4/20 0.37
CA1 P00915 2/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
POLB P06746 1/20 0.36
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
GALR3 O60755 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GAA P10253 3/20 0.33
TDP1 Q9NUW8 2/20 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
SCHEMBL23448995 0.84 ALDH1A1 (0.41) ALDH1A1HTTLMNATYRALOX15
SCHEMBL3414363 0.81 ALDH1A1 (0.40) ALDH1A1HTTLMNATYRALOX15
SCHEMBL29459356 0.80 ALDH1A1 (0.38) ALDH1A1LMNACYP3A4MRGPRX2
SCHEMBL7996188 0.80 ALDH1A1 (0.38) ALDH1A1LMNACYP3A4MRGPRX2
SCHEMBL728580 0.80 ALDH1A1 (0.38) ALDH1A1LMNACYP3A4MRGPRX2
SCHEMBL7996227 0.80 ALDH1A1 (0.38) ALDH1A1LMNACYP3A4MRGPRX2
SCHEMBL18399473 0.77 HSP90AA1 (0.37) ALDH1A1HTTLMNATYRALOX15
SCHEMBL7577079 0.76 OPRD1 (0.43) ALDH1A1LMNAHSD17B10CA2CYP3A4
SCHEMBL12760926 0.76 NR3C1 (0.39) ALDH1A1LMNAMAPTCYP3A4
SCHEMBL3417199 0.75 SLC6A2 (0.35) ALDH1A1LMNAMEN1KMT2ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ALDH1A1 4254/4885HTT 3848/4885LMNA 3559/4885

“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.