SCHEMBL7797879

SCHEMBL7797879

CCOC(=O)C1CCN(c2cc(NCc3ccc4c(c3)OOC4)c3cc(Cl)ccc3n2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHMT2 P34897 1/20 0.46
PDE4A P27815 2/20 0.45
PDE4B Q07343 2/20 0.45
PDE4C Q08493 2/20 0.45
PDE4D Q08499 2/20 0.45
ALDH1A1 P00352 6/20 0.44
HTT P42858 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
PDE2A O00408 1/20 0.44
PDE5A O76074 1/20 0.44
PDE1A P54750 1/20 0.44
PDE1B Q01064 1/20 0.44
PDE1C Q14123 1/20 0.44
MAPT P10636 4/20 0.43
TP53 P04637 1/20 0.43
KDM4E B2RXH2 2/20 0.42
TSHR P16473 2/20 0.42
ALOX12 P18054 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL7797881 0.87 PDE4A (0.60) SHMT2PDE4APDE4BPDE4CPDE4D
SCHEMBL7424627 0.77 PDE4A (0.48) SHMT2PDE4APDE4BPDE4CPDE4D
SCHEMBL6031648 0.77 PDE4A (0.75) PDE4APDE4BPDE4CPDE4DPDE2A
SCHEMBL7787755 0.76 PDE4A (0.74) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL9095949 0.76 PDE4A (0.73) PDE4APDE4BPDE4CPDE4DPDE2A
SCHEMBL7787907 0.75 PDE5A (0.58) PDE2APDE5A
SCHEMBL4931286 0.74 PDE4A (0.81) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL7796215 0.74 PDE5A (0.55) PDE4APDE4BPDE4CPDE4DPDE5A
Hydrochloric Acid SCHEMBL7503522 0.74 PDE4A (0.79) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL7914746 0.71 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DPDE2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20010031760-A1 Method of treating a patient having precancerous lesions with quinazoline derivatives PAMUKCU RIFAT (US) 2001-10-18 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-20010031760-A1 Method of treating a patient having precancerous lesions with quinazoline derivatives MKI67, PCNA, NQO2 SHMT2 388/4885PDE4A 1596/4885PDE4B 1852/4885

“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.