SCHEMBL25336502

SCHEMBL25336502

CCCCCCOc1ccc2c(c1)C(C)(C)C(C)=N2

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.45
PDE3A Q14432 1/20 0.45
PDK2 Q15119 2/20 0.43
NR5A1 Q13285 1/20 0.43
TSHR P16473 1/20 0.42
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41
LMNA P02545 2/20 0.40
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
ALOX15 P16050 1/20 0.40
RAB9A P51151 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL11848693 0.96 CYP1A2 (0.40) PDE3BPDE3APDK2LMNAGAA
SCHEMBL10067075 0.88 PDE3B (0.35) PDE3BPDE3APDK2THRATHRB
SCHEMBL11291373 0.84 MAPT (0.41) PDK2TSHRLMNANPC1TP53
SCHEMBL662124 0.83 PDK2 (0.47) PDE3BPDE3APDK2
SCHEMBL660896 0.83 PDK2 (0.52) PDE3BPDE3APDK2
SCHEMBL19116818 0.82 NCF1 (0.45) PDE3BPDE3ATSHRTHRA
SCHEMBL10035868 0.80 PDK2 (0.38) PDE3BPDE3APDK2LMNATP53
SCHEMBL12200646 0.80 PDK2 (0.33) PDE3BPDE3APDK2THRATHRB
SCHEMBL25337063 0.80 MAOA (0.39)
Bromide SCHEMBL11866816 0.74 EHMT2 (0.51) PDE3BPDE3ALMNANPC1TP53

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-20230250126-A1 Indodicarbocyanine Phosphoramidites with Bathochromically Shifted Absorption and Emission, and Tunable Hydrophobicity THE GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE NAVY 2023-08-10 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-20230250126-A1 Indodicarbocyanine Phosphoramidites with Bathochromically Shifted Absorption and Emission, and Tunable Hydrophobicity NT5C3B, PCNA, POLL PDE3B 2411/4885PDE3A 2166/4885PDK2 3163/4885

“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.