SCHEMBL22947697

SCHEMBL22947697

CC(C)CC(=O)c1c(C(C)C)nn2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 2/20 1.00
PDE4B Q07343 7/20 0.68
PDE5A O76074 6/20 0.68
PDE3A Q14432 4/20 0.68
ALDH1A1 P00352 2/20 0.68
MEN1 O00255 1/20 0.68
CYP1A2 P05177 1/20 0.68
CYP3A4 P08684 1/20 0.68
CYP2D6 P10635 1/20 0.68
CYP2C9 P11712 1/20 0.68
TSHR P16473 1/20 0.68
PDE4A P27815 1/20 0.68
ADORA2A P29274 1/20 0.68
ADORA1 P30542 1/20 0.68
CYP2C19 P33261 1/20 0.68
BLM P54132 1/20 0.68
KMT2A Q03164 1/20 0.68
PDE4C Q08493 1/20 0.68
PDE4D Q08499 1/20 0.68
PDE3B Q13370 1/20 0.68

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
SCHEMBL655570 0.87 MIF (0.78) MIFPDE4BPDE5APDE3AALDH1A1
SCHEMBL3192726 0.86 MIF (0.76) MIFPDE4BPDE5APDE3AALDH1A1
SCHEMBL7509505 0.86 MIF (0.76) MIFPDE4BPDE5APDE3AALDH1A1
SCHEMBL3185498 0.86 MIF (0.76) MIFPDE4BPDE5APDE3AALDH1A1
SCHEMBL4340673 0.85 MIF (0.74) MIFPDE4BPDE5APDE3AALDH1A1
SCHEMBL2709876 0.85 MIF (0.74) MIFPDE4BPDE5APDE3AALDH1A1
SCHEMBL7513484 0.84 MIF (0.72) MIFPDE4BPDE5APDE3AALDH1A1
SCHEMBL7508100 0.84 MIF (0.72) MIFPDE4BPDE5APDE3AALDH1A1
SCHEMBL3197152 0.82 PDE4B (0.76) MIFPDE4BPDE5APDE3AALDH1A1
SCHEMBL653503 0.82 PDE4B (0.76) MIFPDE4BPDE5APDE3AALDH1A1

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-20230033021-A1 TREATMENT OF A DISEASE OF THE GASTROINTESTINAL TRACT WITH AN INTEGRIN INHIBITOR GLAS USA LLC 2023-02-02 US disclosed
US-20220395500-A1 SMALL MOLECULE ACTIVATORS OF INTERFERON REGULATORY FACTOR 3 AND METHODS OF USE THEREOF NEURALEXO, INC. 2022-12-15 US disclosed
US-20210031012-A1 TREATMENT OF A DISEASE OF THE GASTROINTESTINAL TRACT WITH A PDE4 INHIBITOR GLAS USA LLC 2021-02-04 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 (3 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-20210031012-A1 TREATMENT OF A DISEASE OF THE GASTROINTESTINAL TRACT WITH A PDE4 INHIBITOR PDE4A, PDE12, PDE4B MIF 3877/4885PDE4B 3/4885PDE5A 7/4885
US-20230033021-A1 TREATMENT OF A DISEASE OF THE GASTROINTESTINAL TRACT WITH AN INTEGRIN INHIBITOR ITGAL, ITGB2, ITGB1 MIF 742/4885PDE4B 2437/4885PDE5A 1478/4885
US-20220395500-A1 SMALL MOLECULE ACTIVATORS OF INTERFERON REGULATORY FACTOR 3 AND METHODS OF USE THEREOF IRF3, IRF2BP2, STAT1 MIF 110/4885PDE4B 633/4885PDE5A 1172/4885

“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.