SCHEMBL12728748

SCHEMBL12728748

Cc1ccc(-c2ccc(OP(=O)(Oc3ccccc3)Oc3ccccc3)cc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.73
▸ TSHR P16473 2/20 0.73
▸ MEN1 O00255 6/20 0.54
▸ KMT2A Q03164 6/20 0.54
▸ LMNA P02545 2/20 0.54
▸ NPSR1 Q6W5P4 1/20 0.53
▸ MAPT P10636 1/20 0.50
▸ ALDH1A1 P00352 3/20 0.49
▸ SRC P12931 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ HCRTR1 O43613 1/20 0.45
▸ HTT P42858 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ HPGD P15428 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ HSP90AA1 P07900 1/20 0.44
▸ GAA P10253 1/20 0.44

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
SCHEMBL3690649 0.96 CYP3A4 (0.73) CYP3A4TSHRMEN1KMT2ALMNA
Biphenyl SCHEMBL28859831 0.94 CYP3A4 (0.76) CYP3A4TSHRMEN1KMT2ALMNA
SCHEMBL9657737 0.94 CYP3A4 (0.83) CYP3A4TSHRMEN1KMT2ALMNA
Triphenyl Phosphate SCHEMBL4087814 0.94 CYP3A4 (0.83) CYP3A4TSHRMEN1KMT2ALMNA
Triphenyl Phosphate SCHEMBL27323542 0.94 CYP3A4 (0.83) CYP3A4TSHRMEN1KMT2ALMNA
SCHEMBL381595 0.94 CYP3A4 (0.83) CYP3A4TSHRMEN1KMT2ALMNA
SCHEMBL35597 0.94 CYP3A4 (0.83) CYP3A4TSHRMEN1KMT2ALMNA
Toluene SCHEMBL28113409 0.90 TSHR (0.83) CYP3A4TSHRMEN1KMT2ALMNA
SCHEMBL431694 0.90 CYP3A4 (0.54) CYP3A4TSHRMEN1KMT2ASRC
Benzene SCHEMBL27257404 0.90 CYP3A4 (0.91) CYP3A4TSHRMEN1KMT2ALMNA

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-8968611-B2 Process for solidification of phosphoric ester-based flame retardants ADEKA CORPORATION (JP) 2015-03-03 — — US disclosed
US-20110084242-A1 PROCESS FOR SOLIDIFICATION OF PHOSPHORIC ESTER-BASED FLAME RETARDANTS ADEKA CORPORATION (JP) 2011-04-14 — — US disclosed
US-7585912-B2 Flame-retardant polystyrenes BROMINE COMPOUNDS LTD. (IL) 2009-09-08 — — US disclosed
US-20070257241-A1 Novel Flame-Retardant Polystyrenes BROMINE COMPOUNDS LTD. (IL) 2007-11-08 — — 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-20110084242-A1 PROCESS FOR SOLIDIFICATION OF PHOSPHORIC ESTER-BASED FLAME RETARDANTS MRPS22, ME1, PFAS CYP3A4 944/4885TSHR 1072/4885MEN1 1645/4885

“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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