SCHEMBL10299307

SCHEMBL10299307

O=S(=O)(OCc1ccc2ccc3cccc4ccc1c2c34)C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
CA2 P00918 2/20 0.40
ALDH1A1 P00352 6/20 0.38
KDM4E B2RXH2 4/20 0.38
HPGD P15428 5/20 0.36
HSD17B10 Q99714 4/20 0.36
CYP1A2 P05177 4/20 0.36
POLB P06746 2/20 0.36
GLA P06280 1/20 0.36
CYP2D6 P10635 1/20 0.36
FAAH O00519 1/20 0.35
CYP3A4 P08684 2/20 0.35
TSHR P16473 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GBA1 P04062 2/20 0.34
UGCG Q16739 2/20 0.34
GBA2 Q9HCG7 2/20 0.34
HTT P42858 1/20 0.33

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
SCHEMBL9745651 0.80 TDP1 (0.45) KMT2AMEN1CA2CYP1A2CYP2D6
SCHEMBL901166 0.73 KMT2A (0.50) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL20597973 0.72 KMT2A (0.48) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL2939781 0.71 KMT2A (0.47) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL9815022 0.71 ALDH1A1 (0.48) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL2939780 0.71 KMT2A (0.47) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL8927201 0.70 KMT2A (0.47) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL278717 0.70 ALDH1A1 (0.44) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL67895 0.70 KMT2A (0.47) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL67894 0.70 KMT2A (0.47) KMT2AMEN1ALDH1A1KDM4EHPGD

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-9169176-B2 Pyrene compound and organic electroluminescent device including the same CANON KABUSHIKI KAISHA (JP) 2015-10-27 US disclosed
US-20120168736-A1 NOVEL PYRENE COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE INCLUDING THE SAME CANON KABUSHIKI KAISHA (JP) 2012-07-05 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-20120168736-A1 NOVEL PYRENE COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE INCLUDING THE SAME CYP1A1, PAH, CYP2E1 KMT2A 3318/4885MEN1 1818/4885CA2 3346/4885

“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.