SCHEMBL4658587

SCHEMBL4658587

O=C(Oc1cccc(Oc2ccccc2)c1)C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.51
HSD17B10 Q99714 1/20 0.49
HDAC8 Q9BY41 2/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC2 Q92769 2/20 0.46
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 3/20 0.45
PTGS1 P23219 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
MAOB P27338 1/20 0.43
ERCC5 P28715 1/20 0.43

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
SCHEMBL1255890 0.83 ELANE (0.47) HSD17B10HDAC1HDAC2KDM4EALDH1A1
SCHEMBL10946374 0.81 ELANE (0.46) HSD17B10HDAC1HDAC2KDM4EALDH1A1
SCHEMBL11482261 0.80 AKR1C3 (0.60) AKR1C3HSD17B10HDAC8KDM4EALDH1A1
SCHEMBL11436506 0.79 CYP3A4 (0.59) HSD17B10ALDH1A1MEN1KMT2APOLB
SCHEMBL10180800 0.79 ESR1 (0.49) HDAC1HDAC6ALDH1A1MEN1KMT2A
SCHEMBL9871287 0.78 AKR1C3 (0.42) AKR1C3HSD17B10HDAC8HDAC1HDAC2
SCHEMBL9871832 0.78 AKR1C3 (0.42) AKR1C3HSD17B10HDAC8HDAC1HDAC2
SCHEMBL9718914 0.78 AKR1C3 (0.42) AKR1C3HSD17B10HDAC8HDAC1HDAC2
SCHEMBL10559530 0.77 LMNA (0.62) HSD17B10ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL11723182 0.77 KMT2A (0.51) HSD17B10KDM4EALDH1A1MEN1KMT2A

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
EP-1720855-A4 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORP (US) 2008-12-17 EP disclosed
US-20070185152-A1 Inhibitors of akt activity SMITHKLINE BEECHAM CORPORATION 2007-08-09 US disclosed
EP-1720855-A1 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2006-11-15 EP disclosed
WO-2005085227-A1 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2005-09-15 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-20070185152-A1 Inhibitors of akt activity AKT1, AKT1S1, AKT2 AKR1C3 3621/4885HSD17B10 3370/4885HDAC8 307/4885

“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.