SCHEMBL11954769

SCHEMBL11954769

CC(C)(C)c1cc(C(C)(C)C)c(O)c(C(c2ccccc2)(c2cccc(C(c3ccccc3)(c3cc(C(C)(C)C)cc(C(C)(C)C)c3O)c3cc(C(C)(C)C)cc(C(C)(C)C)c3O)c2)c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ CA2 P00918 4/20 0.47
▸ GAA P10253 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ CA1 P00915 2/20 0.42
▸ ALOX5 P09917 2/20 0.42
▸ PTGS2 P35354 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ TYR P14679 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ GLRA3 O75311 1/20 0.41
▸ GLRB P48167 1/20 0.41
▸ TNFRSF1A P19438 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL11954773 0.81 CA2 (0.52) TSHRCYP1A2CYP3A4CYP2C9CYP2C19
Phenol SCHEMBL7025701 0.80 CYP3A4 (0.57) TSHRCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL11081173 0.79 HSPA5 (0.54) TSHRCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL11954777 0.78 CA1 (0.43) TSHRCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL8986512 0.78 CA2 (0.61) TSHRCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL35141 0.78 CA2 (0.67) TSHRCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL2858798 0.77 ESR1 (0.55) TSHRCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL3235680 0.77 ALDH1A1 (0.55) TSHRCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL31217629 0.77 ALDH1A1 (0.44) TSHRCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL27787249 0.75 MEN1 (0.49) TSHRCYP1A2CYP3A4CYP2C9CYP2C19

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-9000220-B2 Organophosphorus compounds based on tetraphenol (TP)-substituted structures EVONIK DEGUSSA GMBH (DE) 2015-04-07 — — US disclosed
US-20120197025-A1 ORGANOPHOSPHORUS COMPOUNDS BASED ON TETRAPHENOL (TP)-SUBSTITUTED STRUCTURES EVONIK OXENO GMBH (DE) 2012-08-02 — — 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-20120197025-A1 ORGANOPHOSPHORUS COMPOUNDS BASED ON TETRAPHENOL (TP)-SUBSTITUTED STRUCTURES PTMS, HPD, INPPL1 TSHR 2350/4885CYP1A2 1276/4885CYP3A4 532/4885

“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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