SCHEMBL13616217

SCHEMBL13616217

O=C(O)COc1ccc(-c2cc(-c3ccc(O)cc3)cc(-c3ccc(O)cc3)c2)cc1

nearest known ligand 0.79

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 3/20 0.67
PPARG P37231 1/20 0.67
PPARA Q07869 1/20 0.61
ALOX15 P16050 1/20 0.55
FFAR1 O14842 2/20 0.53
ALDH2 P05091 1/20 0.52
ALDH1A1 P00352 1/20 0.51
ESR1 P03372 2/20 0.51
THRA P10827 1/20 0.51
THRB P10828 1/20 0.51
CYP19A1 P11511 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.50
PTPN7 P35236 1/20 0.50

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
SCHEMBL4820127 0.94 ALOX15 (0.61) PPARDPPARGPPARAALOX15FFAR1
SCHEMBL274850 0.89 ALOX15 (0.68) ALOX15FFAR1ALDH1A1ESR1THRA
SCHEMBL2780802 0.87 ALOX15 (0.71) PPARDPPARGPPARAALOX15FFAR1
Butanone SCHEMBL21796224 0.85 ESR1 (0.58) PPARDPPARGALOX15ALDH1A1ESR1
Formaldehyde SCHEMBL30592324 0.83 ALOX15 (0.61) ALOX15FFAR1ALDH1A1ESR1THRA
SCHEMBL10622949 0.82 PPARD (0.58) PPARDPPARGALOX15FFAR1ALDH1A1
Chloroacetic Acid SCHEMBL7821121 0.81 ALOX15 (0.59) PPARDPPARGALOX15FFAR1ALDH1A1
SCHEMBL12087479 0.81 FFAR1 (0.64) PPARDPPARGPPARAALOX15FFAR1
SCHEMBL422442 0.81 ALOX15 (0.76) PPARDPPARGPPARAALOX15FFAR1
SCHEMBL418409 0.81 PPARD (0.56) PPARDPPARGPPARAALOX15FFAR1

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
US-8771923-B2 Radiation-sensitive composition JSR CORPORATION (JP) 2014-07-08 US disclosed
US-8771923-B2 Radiation-sensitive composition JSR CORPORATION (JP) 2014-07-08 US disclosed
US-20130108962-A1 RADIATION-SENSITIVE COMPOSITION JSR CORPORATION (JP) 2013-05-02 US disclosed
US-20130108962-A1 RADIATION-SENSITIVE COMPOSITION JSR CORPORATION (JP) 2013-05-02 US disclosed
US-8361691-B2 Radiation-sensitive composition and process for producing low-molecular compound for use therein JSR CORPORATION (JP) 2013-01-29 US disclosed
US-8361691-B2 Radiation-sensitive composition and process for producing low-molecular compound for use therein JSR CORPORATION (JP) 2013-01-29 US disclosed
US-20090280433-A1 RADIATION-SENSITIVE COMPOSITION AND PROCESS FOR PRODUCING LOW-MOLECULAR COMPOUND FOR USE THEREIN JSR CORPORATION (JP) 2009-11-12 US disclosed
US-20090280433-A1 RADIATION-SENSITIVE COMPOSITION AND PROCESS FOR PRODUCING LOW-MOLECULAR COMPOUND FOR USE THEREIN JSR CORPORATION (JP) 2009-11-12 US disclosed
EP-2060949-A1 RADIATION-SENSITIVE COMPOSITION AND PROCESS FOR PRODUCING LOW-MOLECULAR COMPOUND FOR USE THEREIN JSR Corporation (JP) 2009-05-20 EP 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-20090280433-A1 RADIATION-SENSITIVE COMPOSITION AND PROCESS FOR PRODUCING LOW-MOLECULAR COMPOUND FOR USE THEREIN ACP1, PLG, ALG1 PPARD 2328/4885PPARG 260/4885PPARA 859/4885

“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.