SCHEMBL505811

SCHEMBL505811

COC(=O)C(C)c1ccc2cc(OC)ccc2c1

nearest known ligand 0.77

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.77
L3MBTL1 Q9Y468 1/20 0.77
PTGS2 P35354 6/20 0.73
AKR1C3 P42330 3/20 0.73
AKR1C2 P52895 3/20 0.73
PTGS1 P23219 2/20 0.73
TSHR P16473 2/20 0.73
CDC42 P60953 1/20 0.73
RAC1 P63000 1/20 0.73
CYP1A2 P05177 1/20 0.73
SLC22A6 Q4U2R8 1/20 0.73
LMNA P02545 1/20 0.69
MAPT P10636 1/20 0.69
CYP2C9 P11712 1/20 0.69
ALOX5 P09917 1/20 0.60
RIOK2 Q9BVS4 1/20 0.59

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
SCHEMBL505819 1.00 TDP1 (0.77) TDP1L3MBTL1PTGS2AKR1C3AKR1C2
SCHEMBL29508603 1.00 TDP1 (0.77) TDP1L3MBTL1PTGS2AKR1C3AKR1C2
SCHEMBL505799 1.00 TDP1 (0.77) TDP1L3MBTL1PTGS2AKR1C3AKR1C2
SCHEMBL8754690 1.00 TDP1 (0.77) TDP1L3MBTL1PTGS2AKR1C3AKR1C2
SCHEMBL29403959 1.00 TDP1 (0.77) TDP1L3MBTL1PTGS2AKR1C3AKR1C2
SCHEMBL11015007 0.97 TDP1 (0.73) TDP1L3MBTL1PTGS2AKR1C3AKR1C2
SCHEMBL14364989 0.91 TDP1 (0.65) TDP1L3MBTL1PTGS2AKR1C3AKR1C2
SCHEMBL12744118 0.91 TDP1 (0.69) TDP1L3MBTL1PTGS2AKR1C3AKR1C2
SCHEMBL9551659 0.90 TDP1 (0.77) TDP1L3MBTL1PTGS2AKR1C3AKR1C2
SCHEMBL12744138 0.89 PTGS2 (0.63) 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 107 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108504618-B Recombinant bacterium for expressing lipase with R configuration selectivity and application thereof 华南理工大学 2020-08-18 CN claimed
CN-102388014-A Synthesis method of chiral alpha-aryl propionic acid derivative DSM IP ASSETS BV 2012-03-21 CN claimed
US-5587318-A FROM RACEMIC MIXTURES OF THE CORRESPONDING ESTER BY ENANTIOSPECIFIC HYDROLYSIS USING LIPASE WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 1996-12-24 US claimed
EP-0227078-A1 Process for preparing (S)-alpha-methylarylacetic acids WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 1987-07-01 EP claimed
EP-0013506-B1 PLASTICIZER COMPOSITIONS MONSANTO COMPANY (US) 1983-07-06 EP claimed
US-4001301-A ANTIINFLAMMATORY AGENTS, ANALGESICS, ANTIPYRETICS, ANTI-PRURITIC SYNTEX CORPORATION (PM) 1977-01-04 US claimed
US-3998966-A Anti-inflammatory, analgesic, anti-pyretic and anti-pruritic 6-substituted 2-naphthyl acetic acid derivative-containing compositions and methods of use thereof SYNTEX CORPORATION (PM) 1976-12-21 US claimed
JP-60081145-A None JP disclosed
CN-117355527-B Anti-inflammatory coupling compound medicine and preparation method and application thereof 上海椿安生物医药科技有限公司 2024-06-07 CN disclosed
CN-117355527-A External anti-inflammatory coupling compound medicine and preparation method and application thereof 上海椿安生物医药科技有限公司 2024-01-05 CN disclosed
US-11369688-B2 Hybrid telodendrimers THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-06-28 US disclosed
WO-2022089614-A1 APPLICATION OF THYMIDINE DERIVATIVE IN PREPARATION OF DRUGS 上海岸阔医药科技有限公司 2022-05-05 WO disclosed
WO-2022089612-A1 USE OF URIDINE DERIVATIVE IN PREPARATION OF MEDICAMENT 上海岸阔医药科技有限公司 2022-05-05 WO disclosed
US-4009197-A 2-(6-Substituted-2'-naphthyl) acetic acid derivatives and the salts and esters thereof SYNTEX CORPORATION (PM) 1977-02-22 US disclosed
US-4001301-A ANTIINFLAMMATORY AGENTS, ANALGESICS, ANTIPYRETICS, ANTI-PRURITIC SYNTEX CORPORATION (PM) 1977-01-04 US disclosed
US-3998966-A Anti-inflammatory, analgesic, anti-pyretic and anti-pruritic 6-substituted 2-naphthyl acetic acid derivative-containing compositions and methods of use thereof SYNTEX CORPORATION (PM) 1976-12-21 US disclosed
US-3980699-A ANTIINFLAMMATORY, ANALGESICS, ANTIPYRETIC, ANTIPRURITIC SYNTEX CORPORATION (PM) 1976-09-14 US disclosed
US-3978124-A ANALGESIC, ANTIPYRETIC SYNTEX CORPORATION (PM) 1976-08-31 US disclosed
US-3978116-A ANALGESIC, ANTIPYRETIC SYNTEX CORPORATION (PM) 1976-08-31 US disclosed
US-3958012-A ANTIINFLAMMATORY, ANALGESIC AND ANTIPYRETIC ACTIVITY SYNTEX CORPORATION (US) 1976-05-18 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-11369688-B2 Hybrid telodendrimers TELO2, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HTT TDP1 588/4885L3MBTL1 3205/4885PTGS2 4426/4885

“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.