SCHEMBL24995485

SCHEMBL24995485

CC(C)c1cc2[nH]c(=O)ccc2c(C(C)(C)C)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 8/20 0.38
PDE3A Q14432 8/20 0.38
CA12 O43570 2/20 0.35
CA9 Q16790 2/20 0.35
AR P10275 2/20 0.35
MAPT P10636 1/20 0.34
THRB P10828 1/20 0.34
KDM4E B2RXH2 2/20 0.33
TP53 P04637 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
HAVCR2 Q8TDQ0 1/20 0.33
MAPK1 P28482 1/20 0.32
F11 P03951 1/20 0.32
CA1 P00915 1/20 0.32
CA3 P07451 1/20 0.32
CA4 P22748 1/20 0.32

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
SCHEMBL24995483 0.80 CA12 (0.41) PDE3BPDE3ACA12CA9AR
SCHEMBL24996736 0.80 PDE3B (0.42) PDE3BPDE3ACA12CA9MAPT
SCHEMBL14090714 0.70 PDE3B (0.62) PDE3BPDE3A
SCHEMBL18238204 0.69 PDE3B (0.46) PDE3BPDE3ACA12CA9MAPT
SCHEMBL25465466 0.68 HTR1B (0.37) KDM4EALDH1A1
SCHEMBL24996942 0.68 PDE3B (0.43) PDE3BPDE3ACA12CA9MAPT
SCHEMBL14347511 0.68 KIF11 (0.42) CA12CA9MAPTKDM4EALDH1A1
SCHEMBL14347575 0.67 MAT2A (0.60) CA12CA9KDM4ETP53SMN1; SMN2
SCHEMBL18239044 0.66 CA12 (0.46) PDE3BPDE3ACA12CA9AR
SCHEMBL18237950 0.65 CA12 (0.41) PDE3BPDE3ACA12CA9MAPT

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-20230043863-A1 HETEROAROMATIC DERIVATIVES FOR USE AS REGULATOR, PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI HANSOH BIOMEDICAL CO., LTD. (CN) 2023-02-09 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-20230043863-A1 HETEROAROMATIC DERIVATIVES FOR USE AS REGULATOR, PREPARATION METHOD THEREFOR AND USE THEREOF WEE2, WEE1, RORB PDE3B 3458/4885PDE3A 3504/4885CA12 4352/4885

“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.