SCHEMBL8358671

SCHEMBL8358671

COC(=O)CCCOc1ccc2[nH]c(=O)ccc2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 16/20 0.61
PDE3A Q14432 16/20 0.61
P2RY12 Q9H244 13/20 0.61
KDM4E B2RXH2 1/20 0.60
MEN1 O00255 1/20 0.60
PDE5A O76074 1/20 0.60
ALDH1A1 P00352 1/20 0.60
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
HPGD P15428 1/20 0.60
TSHR P16473 1/20 0.60
PTAFR P25105 1/20 0.60
CYP2C19 P33261 1/20 0.60
BLM P54132 1/20 0.60
PDE1A P54750 1/20 0.60
PDE1B Q01064 1/20 0.60
PMP22 Q01453 1/20 0.60
KMT2A Q03164 1/20 0.60
PDE1C Q14123 1/20 0.60
HSD17B10 Q99714 1/20 0.60

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
SCHEMBL8350200 0.88 PDE3B (0.61) PDE3BPDE3AP2RY12KDM4EMEN1
SCHEMBL5630679 0.85 PDE3B (0.60) PDE3BPDE3AP2RY12KDM4EMEN1
SCHEMBL17874412 0.85 PDE3B (0.60) PDE3BPDE3AP2RY12KDM4EMEN1
SCHEMBL8354652 0.83 PDE3B (0.52) PDE3BPDE3AP2RY12KDM4EMEN1
SCHEMBL9036354 0.82 PDE3B (0.58) PDE3BPDE3AP2RY12KDM4EMEN1
SCHEMBL11276302 0.81 PDE3B (0.56) PDE3BPDE3AP2RY12KDM4EMEN1
SCHEMBL5474312 0.81 PDE3B (0.55) PDE3BPDE3AP2RY12KDM4EMEN1
SCHEMBL7802210 0.80 KDM4E (0.52) PDE3BPDE3AKDM4EMEN1PDE5A
SCHEMBL16409780 0.80 HDAC1 (0.70) PDE3BPDE3AKDM4EMEN1PDE5A
SCHEMBL7802190 0.80 PDE3B (0.51) PDE3BPDE3AP2RY12KDM4EMEN1

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-20070066619-A1 Compounds having simultaneous ability to block L-type calcium channels and to inhibit phosphodiesterase type 3 activity ARTESIAN THERAPEUTICS, INC. (US) 2007-03-22 US disclosed
US-20070066619-A1 Compounds having simultaneous ability to block L-type calcium channels and to inhibit phosphodiesterase type 3 activity ARTESIAN THERAPEUTICS, INC. (US) 2007-03-22 US disclosed
WO-2004033444-A1 DIHYDROPYRIDINE COMPOUNDS HAVING SIMULTANEOUS ABILITY TO BLOCK L-TYPE CALCIUM CHANNELS AND TO INHIBIT PHOSPHODIESTERASE TYPE 3 ACTIVITY ARTESIAN THERAPEUTICS, INC. (US) 2004-04-22 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-20070066619-A1 Compounds having simultaneous ability to block L-type calcium channels and to inhibit phosphodiesterase type 3 activity CACNA1C, PDE3A, PDE3B PDE3B 3/4885PDE3A 2/4885P2RY12 295/4885

“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.