SCHEMBL20887115

SCHEMBL20887115

COc1ccc2cc(C(C)C(=O)C(C)(C)C)ccc2c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.69
AKR1C3 P42330 3/20 0.69
AKR1C2 P52895 3/20 0.69
PTGS1 P23219 2/20 0.69
TSHR P16473 2/20 0.69
CDC42 P60953 1/20 0.69
RAC1 P63000 1/20 0.69
CYP1A2 P05177 1/20 0.69
SLC22A6 Q4U2R8 1/20 0.69
LMNA P02545 1/20 0.66
MAPT P10636 1/20 0.66
CYP2C9 P11712 1/20 0.66
TDP1 Q9NUW8 1/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
RIOK2 Q9BVS4 1/20 0.56
OPRM1 P35372 1/20 0.54
OPRD1 P41143 1/20 0.54
ABCB11 O95342 1/20 0.54
ALOX5 P09917 2/20 0.54
POLB P06746 1/20 0.53

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
SCHEMBL14817408 1.00 PTGS2 (0.69) PTGS2AKR1C3AKR1C2PTGS1TSHR
SCHEMBL22217506 1.00 PTGS2 (0.69) PTGS2AKR1C3AKR1C2PTGS1TSHR
SCHEMBL13340952 0.88 PTGS2 (0.66) PTGS2AKR1C3AKR1C2PTGS1TSHR
SCHEMBL22651687 0.85 NPSR1 (0.56) PTGS2AKR1C3AKR1C2PTGS1TSHR
SCHEMBL12327361 0.84 PTGS2 (0.61) PTGS2AKR1C3AKR1C2PTGS1TSHR
SCHEMBL5534049 0.82 PTGS2 (0.81) PTGS2AKR1C3AKR1C2PTGS1TSHR
Naproxen SCHEMBL42434 0.82 AKR1C3 (1.00) PTGS2AKR1C3AKR1C2PTGS1TSHR
SCHEMBL20887114 0.82 PTGS2 (0.81) PTGS2AKR1C3AKR1C2PTGS1TSHR
Naproxen SCHEMBL616149 0.82 AKR1C3 (1.00) PTGS2AKR1C3AKR1C2PTGS1TSHR
SCHEMBL15116646 0.82 PTGS2 (0.81) PTGS2AKR1C3AKR1C2PTGS1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220168435-A1 PROGRAMMABLE POLYMERIC DRUGS SONY CORPORATION (JP) 2022-06-02 US disclosed
US-11312736-B1 Programmable polymeric drugs SONY CORPORATION (JP) 2022-04-26 US disclosed
US-20200360526-A1 PHOSPHOALKYL POLYMERS COMPRISING BIOLOGICALLY ACTIVE COMPOUNDS Sony Group Corporation (JP) 2020-11-19 US disclosed
US-20200353094-A1 PHOSPHOALKYL RIBOSE POLYMERS COMPRISING BIOLOGICALLY ACTIVE COMPOUNDS Sony Group Corporation (JP) 2020-11-12 US disclosed
US-20200222554-A1 PROGRAMMABLE DENDRITIC DRUGS Sony Group Corporation (JP) 2020-07-16 US disclosed
WO-2019071153-A1 PROGRAMMABLE DENDRITIC DRUGS SONY CORPORATION (JP) 2019-04-11 WO 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 (5 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-11312736-B1 Programmable polymeric drugs NCL, PBRM1, LPXN PTGS2 3678/4885AKR1C3 2668/4885AKR1C2 3837/4885
US-20200353094-A1 PHOSPHOALKYL RIBOSE POLYMERS COMPRISING BIOLOGICALLY ACTIVE COMPOUNDS PARP1, PARP11, PHOSPHO1 PTGS2 4298/4885AKR1C3 1892/4885AKR1C2 2704/4885
US-20200360526-A1 PHOSPHOALKYL POLYMERS COMPRISING BIOLOGICALLY ACTIVE COMPOUNDS PHOSPHO1, PGM2, PHYKPL PTGS2 3709/4885AKR1C3 2136/4885AKR1C2 3099/4885
US-20220168435-A1 PROGRAMMABLE POLYMERIC DRUGS CHRM1, PBRM1, CHRM2 PTGS2 3893/4885AKR1C3 2495/4885AKR1C2 3796/4885
US-20200222554-A1 PROGRAMMABLE DENDRITIC DRUGS CHRM1, TLL1, TEX264 PTGS2 4578/4885AKR1C3 3785/4885AKR1C2 4401/4885

“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.