SCHEMBL1043971

SCHEMBL1043971

[CH2]Oc1cc(C)cc(C)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
TSHR P16473 2/20 0.46
CYP3A4 P08684 1/20 0.46
MAPK1 P28482 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.42
POLB P06746 1/20 0.35
CYP2C9 P11712 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ACHE P22303 3/20 0.35
NPSR1 Q6W5P4 1/20 0.33
TPMT P51580 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2A6 P11509 1/20 0.32
TP53 P04637 1/20 0.31
ALOX15 P16050 1/20 0.31

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
SCHEMBL5897879 0.77 KCNH2 (0.43) ALDH1A1CYP2A6
SCHEMBL458268 0.73 ALDH1A1 (0.67) ALDH1A1TSHRCYP3A4MAPK1TDP1
SCHEMBL3021181 0.73 TUBB1 (0.35)
SCHEMBL318125 0.73
Ethylene SCHEMBL27333006 0.71 ALDH1A1 (0.57) ALDH1A1TSHRCYP3A4MAPK1TDP1
Phosphine SCHEMBL22361930 0.71 ALDH1A1 (0.64) ALDH1A1TSHRCYP3A4MAPK1TDP1
SCHEMBL12378007 0.71 ALDH1A1 (0.64) ALDH1A1TSHRCYP3A4MAPK1TDP1
SCHEMBL13317292 0.71 ALDH1A1 (0.64) ALDH1A1TSHRCYP3A4MAPK1TDP1
SCHEMBL29378528 0.71 ALDH1A1 (0.64) ALDH1A1TSHRCYP3A4MAPK1TDP1
SCHEMBL145855 0.71 ALDH1A1 (0.62) ALDH1A1TSHRCYP3A4MAPK1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115716847-A Preparation method of B, si-bimetal reagent 苏州大学 2023-02-28 CN claimed
US-4707161-A Lightfastness of dyeings obtained with acid dyes or metal complex dyes on polyamides: treatment with copper hydroxamates BASF AKTIENGESELLSCHAFT (DE) 1987-11-17 US claimed
CN-115716847-A Preparation method of B, si-bimetal reagent 苏州大学 2023-02-28 CN disclosed
EP-2346910-B1 CARBAMATE-METHACRYLATE MONOMERS AND THEIR USE IN DENTAL APPLICATIONS SEPTODONT CONFI DENTAL DIVISION (US) 2016-07-13 EP disclosed
US-20150224099-A1 ANTITUBERCULOUS COMPOSITION COMPRISING OXAZOLE COMPOUNDS OTSUKA PHARMA CO LTD (JP) 2015-08-13 US disclosed
CN-102532162-B 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMA CO LTD 2015-05-27 CN disclosed
US-8987304-B2 Antituberculous composition comprising oxazole compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-03-24 US disclosed
US-8513326-B2 Carbamate-methacrylate monomers and their use in dental applications SEPTODONT CONFI-DENTAL (US) 2013-08-20 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-0318759-A1 Multilayered electrophotographical recording material BASF Aktiengesellschaft (DE) 1989-06-07 EP disclosed
US-4789382-A WITH DISPERSE DYES, READY EXHAUSTION, SUBLIMATION RESISTANT, BRIGHT BASF AKTIENGESELLSCHAFT (DE) 1988-12-06 US disclosed
EP-0276124-A2 Prostaglandin derivatives, their preparation and their therapeutic use Sankyo Company Limited (JP) 1988-07-27 EP disclosed
EP-0254987-A2 Benzophenone ether-esters and process for improving the light fastness of polyester colourings by the use of benzophenone ether-esters BASF Aktiengesellschaft (DE) 1988-02-03 EP disclosed
US-4707161-A Lightfastness of dyeings obtained with acid dyes or metal complex dyes on polyamides: treatment with copper hydroxamates BASF AKTIENGESELLSCHAFT (DE) 1987-11-17 US disclosed
US-4613334-A COPPER HYDROXAMATE TREATMENT BASF AKTIENGESELLSCHAFT (DE) 1986-09-23 US disclosed
US-4373102-A Isoindoline dyes, their preparation and use BASF AKTIENGESELLSCHAFT (DE) 1983-02-08 US disclosed
EP-0017132-B1 DYESTUFFS, THEIR PREPARATION AND UTILISATION BASF Aktiengesellschaft (DE) 1981-10-14 EP disclosed
EP-0017132-A1 Dyestuffs, their preparation and utilisation BASF Aktiengesellschaft (DE) 1980-10-15 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 (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-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 1022/4885CYP3A4 72/4885

“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.