SCHEMBL5484957

SCHEMBL5484957

COC(=O)Cc1cc(OC)c(OC)cc1C(=O)c1ccc(Br)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.49
HPGD P15428 2/20 0.49
POLB P06746 1/20 0.46
MAPT P10636 3/20 0.45
NPSR1 Q6W5P4 3/20 0.45
MEN1 O00255 2/20 0.45
RAB9A P51151 2/20 0.45
LMNA P02545 1/20 0.45
MAPK1 P28482 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
CASP3 P42574 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
ALDH1A1 P00352 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 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
SCHEMBL15570068 0.88 CYP3A4 (0.54) KMT2AHPGDPOLBMAPTNPSR1
SCHEMBL5486173 0.86 POLB (0.46) KMT2AHPGDPOLBMAPTNPSR1
SCHEMBL5486180 0.86 CASP3 (0.58) KMT2AHPGDPOLBMAPTNPSR1
SCHEMBL16913033 0.85 KMT2A (0.48) KMT2AHPGDPOLBMAPTNPSR1
SCHEMBL16913114 0.85 KMT2A (0.48) KMT2AHPGDPOLBMAPTNPSR1
SCHEMBL5494653 0.78 HPGD (0.57) KMT2AHPGDMAPTNPSR1MEN1
SCHEMBL11800712 0.76 KDM4E (0.54) KMT2AHPGDPOLBMAPTNPSR1
SCHEMBL197773 0.76 HTT (0.53) NPSR1RAB9AMTNR1AMTNR1BCYP3A4
SCHEMBL5484960 0.76 KMT2A (0.49) KMT2AHPGDPOLBMAPTNPSR1
SCHEMBL5494651 0.76 HPGD (0.55) KMT2AHPGDMAPTNPSR1MEN1

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-7250410-B2 Cyclic nucleotide phosphodiesterase inhibitors, preparation and uses thereof VIA PHARMACEUTICALS, INC. (US) 2007-07-31 US disclosed
US-20040152888-A1 Cyclic nucleotide phosphodiesterase inhibitors, preparation and uses thereof BAY CITY CAPITAL LLC 2004-08-05 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-20040152888-A1 Cyclic nucleotide phosphodiesterase inhibitors, preparation and uses thereof PDE7A, PDE3B, PDE3A KMT2A 3175/4885HPGD 103/4885POLB 717/4885

“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.