SCHEMBL3418105

SCHEMBL3418105

CC(C)c1cc(C2(C)CC(C)(C)c3cc(C(C)C)c(O)cc32)ccc1O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.35
▸ TP53 P04637 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ PAX8 Q06710 1/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ RXRA P19793 2/20 0.34
▸ TRPA1 O75762 1/20 0.33
▸ CHRM1 P11229 1/20 0.33
▸ SLC6A2 P23975 1/20 0.33
▸ ADRA1A P35348 1/20 0.33
▸ HTR2B P41595 1/20 0.33
▸ GABRA1 P14867 1/20 0.33
▸ GABRB2 P47870 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
SCHEMBL7774056 0.80 MEN1 (0.40) TP53CYP1A2ALOX15RXRATRPA1
SCHEMBL4467213 0.77 LMNA (0.38) LMNATP53CYP1A2CYP3A4CYP2D6
SCHEMBL11144426 0.75 ALOX15 (0.36) ALOX15RXRA
SCHEMBL6056864 0.75 ESR1 (0.46) LMNATP53CYP1A2CYP3A4CYP2D6
SCHEMBL8014515 0.74 RXRA (0.49) LMNATP53CYP1A2CYP3A4CYP2D6
SCHEMBL11141905 0.74 FTO (0.43) RXRASLC6A2
SCHEMBL8767794 0.73 ESR1 (0.37) LMNATP53CYP3A4MAPTALOX15
SCHEMBL4606807 0.73 GABRA1 (0.36) LMNATRPA1CHRM1SLC6A2ADRA1A
SCHEMBL3417210 0.71 ALDH1A1 (0.41) LMNATP53CYP1A2CYP3A4MAPT
SCHEMBL3418436 0.70 BACE1 (0.41) LMNACYP2D6MAPTRXRA

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 LMNA 3559/4885TP53 2390/4885CYP1A2 3776/4885

“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.

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