SCHEMBL4739182

SCHEMBL4739182

CCOC(=O)C1=C(C(F)(F)F)C2C=CC1O2

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
KDM4E B2RXH2 5/20 0.38
ADORA2B P29275 2/20 0.38
LMNA P02545 1/20 0.37
ALDH1A1 P00352 3/20 0.36
GAA P10253 3/20 0.36
TSHR P16473 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ABCC1 P33527 1/20 0.35
ATM Q13315 1/20 0.35
MAPT P10636 1/20 0.35
TP53 P04637 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL31376339 0.83 KDM4E (0.46) KDM4ELMNAALDH1A1GAATSHR
SCHEMBL19543293 0.78 KDM4E (0.42) HDAC4HDAC6KDM4ELMNAALDH1A1
SCHEMBL12286063 0.78 HDAC4 (0.41) HDAC4HDAC6HDAC3HDAC1KDM4E
SCHEMBL4735732 0.78 HDAC4 (0.38) HDAC4HDAC6HDAC3HDAC1KDM4E
SCHEMBL4735753 0.78 HDAC4 (0.38) HDAC4HDAC6HDAC3HDAC1KDM4E
SCHEMBL19543295 0.77 ADORA3 (0.47) KDM4ELMNAALDH1A1GAATSHR
SCHEMBL30332018 0.76 HDAC4 (0.39) HDAC4HDAC6HDAC1ALDH1A1TP53
SCHEMBL17266645 0.76 KDM4E (0.41) KDM4ELMNAALDH1A1GAATSHR
SCHEMBL30332078 0.74 POLB (0.43) KDM4ELMNAALDH1A1GAASMN1; SMN2
SCHEMBL18501088 0.72 HDAC4 (0.38) HDAC4HDAC6HDAC3HDAC1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170312363-A1 MULTIFUNCTIONALIZED POLYETHYLENE GLYCOL DERIVATIVE AND PREPARATION METHOD THEREFOR XIAMEN SINOPEG BIOTECH CO., LTD. (CN) 2017-11-02 US disclosed
WO-2008075955-A2 PROCESS FOR THE PREPARATION OF 1,4,5-TRISUBSTITUTED TRIAZOLES AND 3,4,5-TRISUBSTITUTED TRIAZOLES STICHTING VOOR DE TECHNISCHE WETENSCHAPPEN (NL) 2008-06-26 WO disclosed
WO-2008075955-A2 PROCESS FOR THE PREPARATION OF 1,4,5-TRISUBSTITUTED TRIAZOLES AND 3,4,5-TRISUBSTITUTED TRIAZOLES STICHTING VOOR DE TECHNISCHE WETENSCHAPPEN (NL) 2008-06-26 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-20170312363-A1 MULTIFUNCTIONALIZED POLYETHYLENE GLYCOL DERIVATIVE AND PREPARATION METHOD THEREFOR HDGF, F11, F12 HDAC4 3318/4885HDAC6 3795/4885HDAC3 3798/4885

“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.