SCHEMBL5484029

SCHEMBL5484029

COc1cc(C)c(C(=O)c2ccc(I)cc2)cc1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.50
HTT P42858 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
NPC1 O15118 1/20 0.49
CYP3A4 P08684 4/20 0.49
TSHR P16473 3/20 0.49
CYP1A2 P05177 2/20 0.49
CYP2C19 P33261 2/20 0.49
CYP2C9 P11712 1/20 0.49
ALDH1A1 P00352 4/20 0.46
GAA P10253 1/20 0.46
KDM4E B2RXH2 4/20 0.44
HPGD P15428 3/20 0.44
POLB P06746 1/20 0.44
LMNA P02545 3/20 0.44
RECQL P46063 2/20 0.44
HSD17B10 Q99714 2/20 0.44
MAPK1 P28482 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CA12 O43570 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
SCHEMBL5484025 0.84 MAPT (0.47) MAPTHTTNPSR1NPC1CYP3A4
SCHEMBL5494653 0.83 HPGD (0.57) MAPTHTTNPSR1NPC1CYP3A4
SCHEMBL6617275 0.83 TSHR (0.53) MAPTHTTNPSR1NPC1CYP3A4
SCHEMBL9047484 0.81 CDC25B (0.51) MAPTHTTNPSR1NPC1CYP3A4
SCHEMBL5486177 0.78 MAPT (0.46) MAPTHTTNPSR1NPC1CYP3A4
SCHEMBL5486173 0.78 POLB (0.46) MAPTHTTNPSR1NPC1CYP3A4
SCHEMBL29870064 0.78 NPC1 (0.82) MAPTHTTNPSR1NPC1CYP3A4
SCHEMBL21679409 0.78 NPC1 (0.82) MAPTHTTNPSR1NPC1CYP3A4
SCHEMBL16946312 0.78 NPC1 (0.54) MAPTHTTNPSR1NPC1ALDH1A1
SCHEMBL11575284 0.77 NPC1 (0.66) MAPTHTTNPSR1NPC1CYP3A4

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 MAPT 4388/4885HTT 4305/4885NPSR1 154/4885

“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.