SCHEMBL3718382

SCHEMBL3718382

CC([C]=O)c1cccc(C(=O)c2ccccc2)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.66
PTGS1 P23219 4/20 0.66
PTGS2 P35354 4/20 0.66
ALDH1A1 P00352 4/20 0.66
SMN1; SMN2 Q16637 3/20 0.66
LMNA P02545 3/20 0.66
CXCR1 P25024 2/20 0.66
CXCR2 P25025 2/20 0.66
CYP3A4 P08684 2/20 0.66
RECQL P46063 1/20 0.66
KDM4E B2RXH2 1/20 0.66
HPGD P15428 1/20 0.66
MAPK1 P28482 1/20 0.66
PMP22 Q01453 1/20 0.66
SLC22A6 Q4U2R8 1/20 0.66
HSD17B10 Q99714 1/20 0.66
CXCL8 P10145 1/20 0.66
THPO P40225 1/20 0.66
HIF1A Q16665 1/20 0.66
ATM Q13315 1/20 0.55

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
SCHEMBL687542 0.85 MAPT (0.64) MAPTPTGS1PTGS2ALDH1A1SMN1; SMN2
SCHEMBL11835373 0.84 ALDH1A1 (0.52) MAPTPTGS1PTGS2ALDH1A1SMN1; SMN2
SCHEMBL764365 0.82 MAPT (0.74) MAPTPTGS1PTGS2ALDH1A1SMN1; SMN2
Dexketoprofen SCHEMBL6357571 0.81 PTGS1 (0.97) MAPTPTGS1PTGS2ALDH1A1SMN1; SMN2
Ketoprofen SCHEMBL1248409 0.81 PTGS1 (0.97) MAPTPTGS1PTGS2ALDH1A1SMN1; SMN2
SCHEMBL4669024 0.81 PTGS1 (0.72) MAPTPTGS1PTGS2ALDH1A1SMN1; SMN2
SCHEMBL19788333 0.81 PTGS1 (0.72) MAPTPTGS1PTGS2ALDH1A1SMN1; SMN2
SCHEMBL31150150 0.81 PTGS1 (0.72) MAPTPTGS1PTGS2ALDH1A1SMN1; SMN2
SCHEMBL13653040 0.81 PTGS1 (0.72) MAPTPTGS1PTGS2ALDH1A1SMN1; SMN2
SCHEMBL13220676 0.79 MAPT (0.70) MAPTPTGS1PTGS2ALDH1A1SMN1; SMN2

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115181084-A Optimization of synthesis process and pharmacological activity research of daphnetin derivatives 中国药科大学 2022-10-14 CN claimed
EP-0328111-B1 Cancer cell metastasis inhibitors MEIJI SEIKA CO (JP) 2000-01-19 EP claimed
US-4711879-A IMMUNO-MODULATING ACTIVITY CIBA-GEIGY CORPORATION (US) 1987-12-08 US claimed
US-4640911-A IMMUNOSTIMULANTS, VIRICIDES SUCH AS HERPES SIMPLEX CIBA-GEIGY CORPORATION (US) 1987-02-03 US claimed
EP-0163286-A2 Acylated sugars, method for their preparation and their use CIBA-GEIGY AG (CH) 1985-12-04 EP claimed
EP-0024282-B1 BENZOYL DERIVATIVES, THEIR PREPARATION AND THEIR USE AS MEDICINES Dr. Karl Thomae GmbH (DE) 1983-05-18 EP claimed
EP-0024282-A1 Benzoyl derivatives, their preparation and their use as medicines Dr. Karl Thomae GmbH (DE) 1981-03-04 EP claimed
CN-115181084-A Optimization of synthesis process and pharmacological activity research of daphnetin derivatives 中国药科大学 2022-10-14 CN disclosed
EP-3273956-B1 NITROXIDE RADICALS FOR THE TREATMENT OF DISEASES OF THE RESPIRATORY TRACT YISSUM RESEARCH AND DEVELOPMENT COMPANY OF THE HEBREW UNIV OF JERUSALEM LTD (IL) 2020-05-06 EP disclosed
US-10441568-B2 Nitroxide radicals for the treatment of diseases of the respiratory tract YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2019-10-15 US disclosed
US-20180085347-A1 NITROXIDE RADICALS FOR THE TREATMENT OF DISEASES OF THE RESPIRATORY TRACT YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2018-03-29 US disclosed
EP-3273956-A1 NITROXIDE RADICALS FOR THE TREATMENT OF DISEASES OF THE RESPIRATORY TRACT Yissum Research and Development Company of the Hebrew University of Jerusalem Ltd. (IL) 2018-01-31 EP disclosed
WO-2016151591-A1 NITROXIDE RADICALS FOR THE TREATMENT OF DISEASES OF THE RESPIRATORY TRACT YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2016-09-29 WO disclosed
EP-0024282-A1 Benzoyl derivatives, their preparation and their use as medicines Dr. Karl Thomae GmbH (DE) 1981-03-04 EP disclosed
US-4217352-A ANTIARTHRITIC AGENT MERCK & CO., INC. (US) 1980-08-12 US disclosed
US-4212976-A ANTIARTHRITIC AGENTS MERCK & CO., INC. (US) 1980-07-15 US disclosed
US-4144342-A ANTIARTHRITIC AND ANTIINFLAMMATORY AGENTS MERCK & CO., INC. (US) 1979-03-13 US disclosed
US-4061759-A ANTIINFLAMMATORY, ARTHRITIS MERCK & CO., INC. (US) 1977-12-06 US disclosed
US-4057637-A RHEUMATOID ARTHRITIS MERCK & CO., INC. (US) 1977-11-08 US disclosed
US-3971797-A ANTIARTHRITIC MERCK & CO., INC. (US) 1976-07-27 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 (2 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-10441568-B2 Nitroxide radicals for the treatment of diseases of the respiratory tract TXNRD2, ARG2, TXN2 MAPT 4738/4885PTGS1 131/4885PTGS2 142/4885
US-20180085347-A1 NITROXIDE RADICALS FOR THE TREATMENT OF DISEASES OF THE RESPIRATORY TRACT TXNRD2, ARG2, TXN2 MAPT 4738/4885PTGS1 131/4885PTGS2 142/4885

“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.