SCHEMBL1047650

SCHEMBL1047650

[CH2]C=Cc1ccccc1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
TSHR P16473 3/20 0.52
RAB9A P51151 6/20 0.47
KDM4E B2RXH2 5/20 0.47
APOBEC3A P31941 1/20 0.47
APOBEC3G Q9HC16 1/20 0.47
MEN1 O00255 1/20 0.46
PABPC1 P11940 1/20 0.46
KMT2A Q03164 1/20 0.46
CYP1A2 P05177 2/20 0.43
ACHE P22303 2/20 0.43
TP53 P04637 1/20 0.43
CYP2D6 P10635 1/20 0.43
THPO P40225 1/20 0.43
HIF1A Q16665 1/20 0.43
NR1H2 P55055 1/20 0.43
NR1H3 Q13133 1/20 0.43
CYP2C19 P33261 1/20 0.38
NPC1 O15118 2/20 0.38
POLB P06746 2/20 0.38

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
SCHEMBL691302 1.00 ALDH1A1 (0.52) ALDH1A1TSHRRAB9AKDM4EAPOBEC3A
SCHEMBL1035353 0.84 ALDH1A1 (0.62) ALDH1A1TSHRRAB9AKDM4EAPOBEC3A
SCHEMBL1589395 0.84 ALDH1A1 (0.62) ALDH1A1TSHRRAB9AKDM4EAPOBEC3A
SCHEMBL31668810 0.81 ALDH1A1 (0.59) ALDH1A1TSHRRAB9AKDM4EAPOBEC3A
SCHEMBL1767678 0.81 ALDH1A1 (0.59) ALDH1A1TSHRRAB9AKDM4EAPOBEC3A
SCHEMBL142259 0.81 ALDH1A1 (0.59) ALDH1A1TSHRRAB9AKDM4EAPOBEC3A
SCHEMBL294535 0.81 TRPA1 (0.39) ALDH1A1TSHRRAB9AKDM4EAPOBEC3A
SCHEMBL294534 0.81 TRPA1 (0.39) ALDH1A1TSHRRAB9AKDM4EAPOBEC3A
SCHEMBL23458040 0.79 ALDH1A1 (0.56) ALDH1A1TSHRRAB9AKDM4EAPOBEC3A
SCHEMBL23457968 0.79 ALDH1A1 (0.56) ALDH1A1TSHRRAB9AKDM4EAPOBEC3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3956374-A Aryl-oxo-heptenoic acids MERCK & CO., INC. (US) 1976-05-11 US claimed
US-20150224099-A1 ANTITUBERCULOUS COMPOSITION COMPRISING OXAZOLE COMPOUNDS OTSUKA PHARMA CO LTD (JP) 2015-08-13 US disclosed
US-8987304-B2 Antituberculous composition comprising oxazole compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-03-24 US disclosed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
US-8163753-B2 2-(4-(4-(4-chlorophenyl)oxazol-2-yl)phenoxymethyl)-2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b]oxazole; bactericide; excellent bactericidal action against Mycobacterium tuberculosis, multi-drug-resistant Mycobacterium tuberculosis, and atypical acid-fast bacteria OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-04-24 US disclosed
EP-2269694-A2 Antituberculous composition comprising oxazole compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-01-05 EP disclosed
EP-2116527-A1 OXIME COMPOUND, PHOTOSENSITIVE COMPOSITION, COLOR FILTER, METHOD FOR PRODUCTION OF THE COLOR FILTER, AND LIQUID CRYSTAL DISPLAY ELEMENT FUJIFILM Corporation (JP) 2009-11-11 EP disclosed
US-20090275528-A1 ANTITUBERCULOUS COMPOSITION COMPRISING OXAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-11-05 US disclosed
US-7524978-B2 2-oxabicyclo[3.3.0]octane compounds, process for producing the same, optical resolver, method of separating diastereomer mixture, and method of optically resolving alcohol ZEON CORPORATION (JP) 2009-04-28 US disclosed
US-5643932-A PREVENTS CELL DAMAGE AFTER ISCHEMIA AND RE-PERFUSION, SUBSTITUTED THIAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-07-01 US disclosed
CN-1114834-A antidiabetic agent OTSUKA PHARMA CO LTD (JP) 1996-01-10 CN disclosed
EP-0670831-A1 QUINOXALINE DERIVATIVE AS ANTIDIABETIC AGENT OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-09-13 EP disclosed
WO-1995009159-A1 QUINOXALINE DERIVATIVE AS ANTIDIABETIC AGENT OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1995-04-06 WO disclosed
EP-0513387-A1 ACTIVE OXYGEN INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-11-19 EP disclosed
US-5053070-A PYRIMIDINE DERIVATIVES, PREPARATION PROCESSES THEREOF, HERBICIDE CONTAINING THE SAME, AND HERBICIDAL COMPOSITIONS CONTAINING THE SAME ALONG WITH OTHER ACTIVE INGREDIENT MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1991-10-01 US disclosed
US-4986846-A PRE-AND POSTEMERGENCE MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1991-01-22 US disclosed
EP-0374839-A1 2-(4,6-Dimethoxy-2-pyrimidinyloxy)benzaldoximes, preparation processes thereof, herbicides containing the same, and herbicidal compositions containing the same along with other active ingredients MITSUI TOATSU CHEMICALS, Inc. (JP) 1990-06-27 EP disclosed
US-4874861-A Pyridazinone derivatives, preparation thereof, and insecticidal, acaricidal, nematicidal, fungicidal compositions NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1989-10-17 US disclosed
EP-0183212-A2 Pyridazinone derivatives, preparation thereof, and insecticidal, acaricidal, nematicidal, fungicidal compositions NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1986-06-04 EP 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-20150224099-A1 ANTITUBERCULOUS COMPOSITION COMPRISING OXAZOLE COMPOUNDS OXA1L, ARG1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 ALDH1A1 704/4885TSHR 1022/4885RAB9A 3827/4885
US-20090275528-A1 ANTITUBERCULOUS COMPOSITION COMPRISING OXAZOLE COMPOUNDS OXA1L, ARG1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 ALDH1A1 704/4885TSHR 1022/4885RAB9A 3827/4885

“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.