SCHEMBL1725843

SCHEMBL1725843

COc1ccc(OC(C)(C)C)c(C(C)(C)C)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.57
GAA P10253 1/20 0.57
CA1 P00915 3/20 0.48
CA2 P00918 3/20 0.48
CA12 O43570 2/20 0.48
CA7 P43166 2/20 0.48
CA9 Q16790 2/20 0.48
CA14 Q9ULX7 2/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MAPT P10636 2/20 0.42
THRB P10828 1/20 0.42
CYP3A4 P08684 3/20 0.41
HPGD P15428 2/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
ALOX15 P16050 1/20 0.41
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 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
SCHEMBL6231813 0.88 ALDH1A1 (0.44) ALDH1A1GAACA1CA2CA12
SCHEMBL799846 0.88 ALDH1A1 (0.70) ALDH1A1GAACA1CA2CA12
SCHEMBL28499495 0.86 ALDH1A1 (0.58) ALDH1A1GAACA1CA2CA12
SCHEMBL8902079 0.82 ALDH1A1 (0.55) ALDH1A1GAACA1CA2CA12
SCHEMBL30379901 0.81 ALDH1A1 (0.54) ALDH1A1GAACA1CA2CA12
SCHEMBL252044 0.81 ALDH1A1 (0.54) ALDH1A1GAACA1CA2CA12
SCHEMBL13019819 0.80 CA12 (0.48) ALDH1A1CA1CA2CA12CA7
SCHEMBL10843251 0.79 GAA (0.53) ALDH1A1GAACA1CA2CA12
SCHEMBL9017812 0.79 ALDH1A1 (0.49) ALDH1A1GAACA1CA2CA12
SCHEMBL9017810 0.79 ALDH1A1 (0.52) ALDH1A1GAACA1CA2CA12

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 4 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
EP-2403657-A1 PROCESS FOR PREPARING STRUCTURED ORGANIC FILMS (SOFS) VIA A PRE-SOF Xerox Corporation (US) 2012-01-11 EP disclosed
WO-2010102043-A1 PROCESS FOR PREPARING STRUCTURED ORGANIC FILMS (SOFS) VIA A PRE-SOF XEROX CORPORATION (US) 2010-09-10 WO 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 ALDH1A1 4709/4885GAA 2995/4885CA1 397/4885

“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.