SCHEMBL556708

SCHEMBL556708

C/C(=C\C(=O)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)c1ccc(C(F)(F)P(=O)(OCOCc2ccc3c(c2)OCO3)OCOCc2ccc3c(c2)OCO3)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
CYP3A4 P08684 3/20 0.38
POLB P06746 3/20 0.38
TDP1 Q9NUW8 3/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2D6 P10635 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
HTT P42858 2/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
HDAC3 O15379 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
SCHEMBL556709 0.87 TSHR (0.38) POLBSMN1; SMN2ALDH1A1KDM4ENPC1
SCHEMBL16069991 0.87 CYP3A4 (0.43) KMT2AMEN1CYP3A4POLBTDP1
SCHEMBL16069988 0.87 CYP3A4 (0.43) KMT2AMEN1CYP3A4POLBTDP1
SCHEMBL16069989 0.87 CYP3A4 (0.43) KMT2AMEN1CYP3A4POLBTDP1
SCHEMBL557120 0.77 NR4A1 (0.38) SMN1; SMN2ALDH1A1MAPT
SCHEMBL557121 0.77 NR4A1 (0.38) SMN1; SMN2ALDH1A1MAPT
SCHEMBL556293 0.73 TSHR (0.35) KMT2AMEN1TDP1ALDH1A1CYP1A2
SCHEMBL556294 0.73 TSHR (0.35) KMT2AMEN1TDP1ALDH1A1CYP1A2
SCHEMBL556710 0.73 RXFP2 (0.36) CYP3A4POLBTDP1CTDSP1KDM4E
SCHEMBL16069990 0.73 KDM4E (0.42) POLBTDP1SMN1; SMN2ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120035114-A1 INHIBITORS OF STAT3 AND USES THEREOF BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2012-02-09 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-20120035114-A1 INHIBITORS OF STAT3 AND USES THEREOF STAT3, JAK2, STAT6 KMT2A 2506/4885MEN1 3641/4885CYP3A4 4219/4885

“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.