SCHEMBL722654

SCHEMBL722654

COC(=O)[C@@H](C)c1ccc2cc(O)ccc2c1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
PTGS2 P35354 6/20 0.51
AKR1C3 P42330 5/20 0.51
AKR1C2 P52895 5/20 0.51
PTGS1 P23219 3/20 0.51
TSHR P16473 2/20 0.51
CDC42 P60953 1/20 0.51
RAC1 P63000 1/20 0.51
CYP1A2 P05177 1/20 0.51
SLC22A6 Q4U2R8 1/20 0.51
MT-CO2 P00403 1/20 0.51
MAPT P10636 2/20 0.49
LMNA P02545 1/20 0.49
CYP2C9 P11712 1/20 0.49
MEN1 O00255 1/20 0.46
CYP3A4 P08684 1/20 0.46
PPARG P37231 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL30892259 1.00 TDP1 (0.55) TDP1L3MBTL1PTGS2AKR1C3AKR1C2
SCHEMBL555045 1.00 TDP1 (0.55) TDP1L3MBTL1PTGS2AKR1C3AKR1C2
Methane SCHEMBL27805211 0.98 TDP1 (0.54) TDP1L3MBTL1PTGS2AKR1C3AKR1C2
SCHEMBL27783582 0.85 TDP1 (0.43) TDP1L3MBTL1PTGS2AKR1C3AKR1C2
SCHEMBL4266625 0.85 TDP1 (0.48) TDP1L3MBTL1PTGS2AKR1C3AKR1C2
SCHEMBL13067831 0.84 TDP1 (0.49) TDP1L3MBTL1PTGS2AKR1C3AKR1C2
SCHEMBL6714731 0.84 AKR1C3 (0.52) TDP1L3MBTL1PTGS2AKR1C3AKR1C2
SCHEMBL8212247 0.84 AKR1C3 (0.52) TDP1L3MBTL1PTGS2AKR1C3AKR1C2
SCHEMBL11459746 0.83 TDP1 (0.55) TDP1L3MBTL1PTGS2AKR1C3AKR1C2
SCHEMBL13448800 0.83 TDP1 (0.55) TDP1L3MBTL1PTGS2AKR1C3AKR1C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115322099-B Naproxen-cinnamic acid derivative and application thereof in preparation of medicines for treating LPS-induced inflammation 五邑大学 2024-04-02 CN claimed
CN-115322099-A Naproxen-cinnamic acid derivatives and application thereof in preparation of drugs for treating LPS (LPS) -induced inflammation 五邑大学 2022-11-11 CN claimed
CN-115322099-B Naproxen-cinnamic acid derivative and application thereof in preparation of medicines for treating LPS-induced inflammation 五邑大学 2024-04-02 CN disclosed
US-11912664-B2 Determining small molecule-protein and protein-protein interactions PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2024-02-27 US disclosed
US-11912664-B2 Determining small molecule-protein and protein-protein interactions PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2024-02-27 US disclosed
CN-115322099-A Naproxen-cinnamic acid derivatives and application thereof in preparation of drugs for treating LPS (LPS) -induced inflammation 五邑大学 2022-11-11 CN disclosed
US-20200140388-A1 DETERMINING SMALL MOLECULE-PROTEIN AND PROTEIN-PROTEIN INTERACTIONS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2020-05-07 US disclosed
US-8759318-B2 Phosphoramidate derivatives of guanosine nucleoside compounds for treatment of viral infections INHIBITEX, INC. (US) 2014-06-24 US disclosed
US-20120052046-A1 Phosphoramidate Derivatives of Guanosine Nucleoside Compunds for Treatment of Viral Infections UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) 2012-03-01 US disclosed
CN-102348712-A Phosphoramidate derivatives of guanosine nucleoside compounds for treatment of viral infections UNIV CARDIFF 2012-02-08 CN disclosed
US-4937373-A Substituted naphthalene carboxylic acids HOFFMANN-LA ROCHE INC. (US) 1990-06-26 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-20120052046-A1 Phosphoramidate Derivatives of Guanosine Nucleoside Compunds for Treatment of Viral Infections PNP, SAMHD1, MTAP TDP1 431/4885L3MBTL1 2151/4885PTGS2 2885/4885
US-20200140388-A1 DETERMINING SMALL MOLECULE-PROTEIN AND PROTEIN-PROTEIN INTERACTIONS MAX, IK, CRYAA TDP1 3442/4885L3MBTL1 2474/4885PTGS2 2854/4885
US-11912664-B2 Determining small molecule-protein and protein-protein interactions MAX, IK, CRYAA TDP1 3442/4885L3MBTL1 2474/4885PTGS2 2854/4885

“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.