SCHEMBL16656482

SCHEMBL16656482

COC(=O)Cc1c(C)n(C(=O)c2ccc(C)cc2)c2ccc(OC)cc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 8/20 1.00
AKR1C2 P52895 5/20 1.00
PTGS2 P35354 9/20 0.84
CNR2 P34972 2/20 0.84
MAPT P10636 2/20 0.70
LMNA P02545 2/20 0.69
CYP1A2 P05177 2/20 0.69
CYP2D6 P10635 2/20 0.69
CYP2C9 P11712 2/20 0.69
HIF1A Q16665 2/20 0.69
NPSR1 Q6W5P4 2/20 0.69
TSHR P16473 1/20 0.69
NFKB1 P19838 1/20 0.69
PTGS1 P23219 2/20 0.68
KDM4E B2RXH2 1/20 0.68
MEN1 O00255 1/20 0.68
PTGES O14684 1/20 0.68
ABCC3 O15438 1/20 0.68
ABCC4 O15439 1/20 0.68
ABCB11 O95342 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
SCHEMBL30426824 0.91 PTGS2 (1.00) AKR1C3AKR1C2PTGS2CNR2MAPT
SCHEMBL14086813 0.91 PTGS2 (1.00) AKR1C3AKR1C2PTGS2CNR2MAPT
SCHEMBL30761037 0.91 AKR1C3 (0.87) AKR1C3AKR1C2PTGS2CNR2MAPT
SCHEMBL13448804 0.91 AKR1C3 (0.83) AKR1C3AKR1C2PTGS2CNR2MAPT
SCHEMBL15774085 0.90 AKR1C3 (0.83) AKR1C3AKR1C2PTGS2CNR2MAPT
SCHEMBL2600801 0.90 AKR1C3 (1.00) AKR1C3AKR1C2PTGS2CNR2MAPT
SCHEMBL6102416 0.89 AKR1C3 (0.84) AKR1C3AKR1C2PTGS2CNR2MAPT
SCHEMBL17385243 0.89 PTGS2 (0.84) AKR1C3AKR1C2PTGS2CNR2MAPT
SCHEMBL11458502 0.87 AKR1C3 (0.80) AKR1C3AKR1C2PTGS2CNR2MAPT
SCHEMBL27768669 0.87 AKR1C3 (0.78) AKR1C3AKR1C2PTGS2CNR2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150141350-A1 DENDRIMER BASED NANODEVICES FOR THERAPEUTIC AND IMAGING PURPOSES Ashvattha Therapeutics, Inc. 2015-05-21 US disclosed
US-9012647-B2 Nitroxide modified non-steroidal anti-inflammatory compounds and uses thereof in the treatment and prevention of diseases or disorders THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2015-04-21 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-20150141350-A1 DENDRIMER BASED NANODEVICES FOR THERAPEUTIC AND IMAGING PURPOSES PAM, MUC1, AADAC AKR1C3 4052/4885AKR1C2 4294/4885PTGS2 1173/4885

“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.