SCHEMBL288922

SCHEMBL288922

C=CCNCC(=O)OCC

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.48
MGAM O43451 1/20 0.48
SI P14410 1/20 0.48
MGAM2 Q2M2H8 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 5/20 0.40
TRPA1 O75762 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
LTA4H P09960 2/20 0.36
LMNA P02545 1/20 0.36
PPID Q08752 1/20 0.36
CYP1A2 P05177 1/20 0.35

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
Hydrochloric Acid SCHEMBL11730776 0.98 GAA (0.46) GAAMGAMSIMGAM2SMN1; SMN2
SCHEMBL7621228 0.93 SMN1; SMN2 (0.44) GAAMGAMSIMGAM2SMN1; SMN2
SCHEMBL862004 0.88 LTA4H (0.43) GAAMGAMSIMGAM2SMN1; SMN2
SCHEMBL8518114 0.88 GAA (0.53) GAAMGAMSIMGAM2SMN1; SMN2
SCHEMBL8824199 0.85 TSHR (0.36) GAASMN1; SMN2ALDH1A1HPGDLMNA
SCHEMBL7774719 0.82 TSHR (0.50) GAAALDH1A1MAPTHPGDNPSR1
SCHEMBL1632530 0.82 GAA (0.50) GAAMGAMSIMGAM2SMN1; SMN2
SCHEMBL713525 0.81
SCHEMBL1439008 0.81 MGAM (0.45) GAAMGAMSIMGAM2SMN1; SMN2
SCHEMBL14639176 0.81 GAA (0.45) GAAMGAMSIMGAM2SMN1; 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 103 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101525303-A Novel 9- substituted minocycline compounds TUFTS UNIVERSITY TRUSTEE (US) 2009-09-09 CN claimed
CN-1690047-A 9-substituted minocycline compounds TUFTS COLLEGE (US) 2005-11-02 CN claimed
CN-1471509-A 9-substituted minocycline compounds ���Ĵ���ѧ 2004-01-28 CN claimed
EP-0703216-B1 Amidinophenol derivatives as protease inhibitors ONO PHARMACEUTICAL CO (JP) 1999-04-07 EP claimed
EP-0588655-B1 Amidinophenol derivatives ONO PHARMACEUTICAL CO (JP) 1996-12-04 EP claimed
CN-85108347-A Plant growth regulator 1986-06-10 CN claimed
EP-0181494-A1 Plant growth regulation agent MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1986-05-21 EP claimed
JP-61091105-A None JP disclosed
JP-61091106-A None JP disclosed
JP-61091104-A None JP disclosed
US-20220071971-A1 MACROCYCLIC COMPOUNDS AND THEIR USE IN THE TREATMENT OF DISEASE NOVARTIS AG (CH) 2022-03-10 US disclosed
EP-3898621-A1 MACROCYCLIC COMPOUNDS AND THEIR USE IN THE TREATMENT OF DISEASE Novartis AG (CH) 2021-10-27 EP disclosed
CN-113227087-A Macrocyclic compounds and their use in the treatment of disease 诺华股份有限公司 2021-08-06 CN disclosed
JP-S6191106-A PLANT GROWTH REGULATOR FOR POTATOES MITSUBISHI GAS CHEM CO INC 1986-05-09 JP disclosed
JP-S6191104-A PLANT GROWTH REGULATOR FOR BEANS MITSUBISHI GAS CHEM CO INC 1986-05-09 JP disclosed
JP-S6191105-A PLANT GROWTH REGULATOR FOR WHEAT (BARLEY) MITSUBISHI GAS CHEM CO INC 1986-05-09 JP disclosed
EP-0178759-A1 Alkynyl derivativesof pyrazolo-(3,4-b)-pyridine lactams ICI AMERICAS INC. (US) 1986-04-23 EP disclosed
US-4562202-A ANGIOTENSIN CONVERTING ENZYME INHIBITORS HOECHST AKTIENGESELLSCHAFT (DE) 1985-12-31 US disclosed
US-4086094-A HYDROPHILIC COLLOID LAYER FUJI PHOTO FILM CO., LTD. (JA) 1978-04-25 US disclosed
US-4005208-A GASTRIC JUICE, ANTISECRETORY SMITHKLINE CORPORATION (US) 1977-01-25 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-20220071971-A1 MACROCYCLIC COMPOUNDS AND THEIR USE IN THE TREATMENT OF DISEASE CFTR, PKD1, PKD2 GAA 71/4885MGAM 1572/4885SI 775/4885

“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.