SCHEMBL1270682

SCHEMBL1270682

CC(C)(C)c1cc(O)c(C(C)(C)C)cc1O.COc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.84
CA1 P00915 2/20 0.84
ALDH1A1 P00352 7/20 0.60
ALOX15 P16050 5/20 0.60
SMN1; SMN2 Q16637 5/20 0.60
CYP3A4 P08684 3/20 0.60
LMNA P02545 3/20 0.60
MAPT P10636 2/20 0.60
TP53 P04637 2/20 0.60
CYP1A2 P05177 2/20 0.60
HPGD P15428 1/20 0.60
KDM4E B2RXH2 1/20 0.60
ATP2A2 P16615 1/20 0.60
ATP2A3 Q93084 1/20 0.60
GAA P10253 2/20 0.49
HPN P05981 1/20 0.48
SIRT5 Q9NXA8 1/20 0.48
TYR P14679 2/20 0.48
POLB P06746 1/20 0.48
EGFR P00533 1/20 0.46

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
SCHEMBL39130 0.92 CA2 (1.00) CA2CA1ALDH1A1ALOX15SMN1; SMN2
SCHEMBL5669484 0.91 ALOX15 (0.77) CA2CA1ALDH1A1ALOX15SMN1; SMN2
SCHEMBL70237 0.86 CA2 (0.80) CA2CA1ALDH1A1ALOX15SMN1; SMN2
SCHEMBL10406844 0.86 CA2 (0.88) CA2CA1ALDH1A1ALOX15SMN1; SMN2
Hydroquinone SCHEMBL7796131 0.84 CA2 (0.84) CA2CA1ALDH1A1ALOX15SMN1; SMN2
SCHEMBL240515 0.82 CA2 (0.80) CA2CA1ALDH1A1ALOX15SMN1; SMN2
SCHEMBL29602570 0.82 CA2 (0.80) CA2CA1ALDH1A1ALOX15SMN1; SMN2
Methoxymethane SCHEMBL9777263 0.80 ALDH1A1 (0.83) CA2CA1ALDH1A1ALOX15SMN1; SMN2
SCHEMBL17796869 0.80 CA2 (0.59) CA2CA1ALDH1A1ALOX15SMN1; SMN2
SCHEMBL5090529 0.80 CA2 (0.77) CA2CA1ALDH1A1ALOX15SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2459578-A2 SOLID ALKYLARYL PHOSPHITE COMPOSITIONS AND METHODS FOR MANUFACTURING SAME Chemtura Corporation (US) 2012-06-06 EP disclosed
WO-2011014527-A2 SOLID ALKYLARYL PHOSPHITE COMPOSITIONS AND METHODS FOR MANUFACTURING SAME Chemtura Coproration (US) 2011-02-03 WO disclosed
EP-2118188-A1 POLYMER COMPOSITE EASTMAN KODAK COMPANY (US) 2009-11-18 EP disclosed
US-20080286377-A1 ANTI-RESORPTIVE BONE CEMENTS AND ALLOGENEIC, AUTOGRAFIC, AND XENOGRAFIC BONE GRAFTS SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH 2008-11-20 US disclosed
WO-2008094500-A1 POLYMER COMPOSITE EASTMAN KODAK COMPANY (US) 2008-08-07 WO disclosed
EP-1150684-A4 ANTI-RESORPTIVE BONE CEMENTS AND ALLOGENEIC, AUTOGRAFIC, AND XENOGRAFIC BONE GRAFTS SLOAN KETTERING INSTITUTEFOR C (US) 2005-06-15 EP disclosed
WO-2000047214-A9 ANTI-RESORPTIVE BONE CEMENTS AND ALLOGENEIC, AUTOGRAFIC, AND XENOGRAFIC BONE GRAFTS SLOAN KETTERING INST CANCER (US) 2002-04-11 WO disclosed
EP-1150684-A1 ANTI-RESORPTIVE BONE CEMENTS AND ALLOGENEIC, AUTOGRAFIC, AND XENOGRAFIC BONE GRAFTS Sloan-Kettering Institute For Cancer Research (US) 2001-11-07 EP disclosed
WO-2000047214-A1 ANTI-RESORPTIVE BONE CEMENTS AND ALLOGENEIC, AUTOGRAFIC, AND XENOGRAFIC BONE GRAFTS SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2000-08-17 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-20080286377-A1 ANTI-RESORPTIVE BONE CEMENTS AND ALLOGENEIC, AUTOGRAFIC, AND XENOGRAFIC BONE GRAFTS SOST, BMP6, BMP2 CA2 2655/4885CA1 1814/4885ALDH1A1 2819/4885

“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.